*HEADER    ANTIBIOTIC                              23-JUN-03   1PT4              
*TITLE     SOLUTION STRUCTURE OF THE MOEBIUS CYCLOTIDE KALATA B2                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: KALATA B2;                                                 
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: OLDENLANDIA AFFINIS;                            
*SOURCE   3 ORGANISM_COMMON: KALATA-KALATA;                                      
*SOURCE   4 STRAIN: DC                                                           
*KEYWDS    CYCLOTIDE, KALATA, CIRCULAR PROTEIN, CYCLIC CYSTINE KNOT,             
*KEYWDS   2 CCK                                                                  
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    C.JENNINGS, M.ANDERSON, N.L.DALY, K.J.ROSENGREN, D.J.CRAIK            
*REVDAT   1   10-AUG-04 1PT4    0                                                

!
!Sequence of KalataB2: CGETCFGGT CNTPGCSCTW PICTRDGLPV
!                      1        10         20       29 
!
!
!VAL 29
assign (resid  29 and name   HN)   (resid  29 and name   HA)   2.350  0.550    0.550 
assign (resid  29 and name   HN)   (resid  29 and name   HB)   2.795  0.995    0.995 
assign (resid  29 and name   HN)   (resid  29 and name  HG#)   0 0 5.0 
assign (resid  29 and name   HN)   (resid   1 and name   HN)   2.255  0.455    0.455 
assign (resid  29 and name   HN)   (resid   2 and name   HN)   3.465  1.665    1.665 
assign (resid  29 and name   HN)   (resid  23 and name   HA)   0 0 3.5 
assign (resid  29 and name   HN)   (resid  23 and name   HB)   3.650  1.850    1.850 
assign (resid  29 and name   HN)   (resid  24 and name   HN)   0 0 3.5 
assign (resid  29 and name   HN)   (resid  27 and name   HN)   0 0 5.0 
assign (resid  29 and name   HN)   (resid  27 and name  HB#)   4.090  2.290    2.290
assign (resid  29 and name   HN)   (resid  27 and name   HG)   3.650  1.850    1.850 
assign (resid  29 and name   HN)   (resid  28 and name   HA)   0 0 3.5 
assign (resid  29 and name   HN)   (resid  28 and name  HD#)   0 0 5.0 
!
assign (resid  29 and name   HA)   (resid  29 and name   HB)   2.330  0.530    0.530
assign (resid  29 and name   HA)   (resid  29 and name   HG#)   0 0 5.0 
assign (resid  29 and name   HA)   (resid   1 and name   HN)   2.625  0.825    0.825 
assign (resid  29 and name   HA)   (resid   2 and name   HN)   0 0 3.5 
assign (resid  29 and name   HA)   (resid  27 and name   HB#)  0 0 6.0 
!
assign (resid  29 and name   HB)   (resid  29 and name  HG#)   0 0 4.2     
assign (resid  29 and name   HB)   (resid   1 and name   HN)   0 0 5.0 
assign (resid  29 and name   HB)   (resid   1 and name   HA)   0 0 5.0 
assign (resid  29 and name   HB)   (resid   2 and name   HN)   0 0 6.0
!
assign (resid  29 and name   HG#)  (resid  24  and name   HN)  0 0 6.5 
assign (resid  29 and name   HG#)  (resid  27 and name   HD#)  0 0 4.5 
assign (resid  29 and name   HG#)  (resid  27 and name   HB#)  0 0 5.5
assign (resid  29 and name   HG#)  (resid  27 and name   HG#)  0 0 7.0 
!
!CYS 1
assign (resid   1 and name   HN)   (resid   1 and name   HA)   2.330  0.530    0.530
assign (resid   1 and name   HN)   (resid   1 and name  HB1)   2.625  0.825    0.825
assign (resid   1 and name   HN)   (resid   1 and name  HB2)   0 0 5.0 
assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.175  0.375    0.375 
assign (resid   1 and name   HN)   (resid   2 and name   HA#)  0 0 5.0 
assign (resid   1 and name   HN)   (resid   3 and name   HN)   0 0 5.0  
assign (resid   1 and name   HN)   (resid  22 and name   HB2)  0 0 6.0    
assign (resid   1 and name   HN)   (resid  23 and name    HA)  0 0 3.5   
assign (resid   1 and name   HN)   (resid  28 and name    HA)  0 0 3.5
!
assign (resid   1 and name   HA)   (resid   1 and name  HB1)   0 0 3.5 
assign (resid   1 and name   HA)   (resid   1 and name  HB2)   0 0 3.5 
assign (resid   1 and name   HA)   (resid   2 and name   HN)   0 0 5.0 
assign (resid   1 and name   HA)   (resid   3 and name   HN)   0 0 6.0 
assign (resid   1 and name   HA)   (resid  12 and name HG2#)   0 0 6.5
!
assign (resid   1 and name  HB2)   (resid   1 and name  HB1)   0 0 3.5
assign (resid   1 and name  HB2)   (resid   2 and name   HN)   0 0 4.5  
assign (resid   1 and name  HB1)   (resid   2 and name   HN)   0 0 6.0 
assign (resid   1 and name  HB2)   (resid   3 and name   HN)   3.220  1.420    1.420 
assign (resid   1 and name  HB2)   (resid   3 and name  HB#)   4.525  2.725    2.725
assign (resid   1 and name  HB2)   (resid   3 and name  HG#)   0 0 6.0 
assign (resid   1 and name  HB#)   (resid  10 and name  HB#)   0 0 5.5 
assign (resid   1 and name  HB#)   (resid  12 and name   HB)   3.860  2.060    2.060 
assign (resid   1 and name  HB2)   (resid  12 and name HG2#)   4.605  2.805    2.805 
assign (resid   1 and name  HB2)   (resid  15 and name HB1)    0 0 5.0 
assign (resid   1 and name  HB2)   (resid  22 and name   HN)   0 0 5.0 
assign (resid   1 and name  HB2)   (resid  22 and name  HB#)   0 0 5.0 
assign (resid   1 and name  HB#)   (resid  27 and name  HB#)   0 0 7.0

!GLY 2
assign (resid   2 and name   HN)   (resid   2 and name  HA#)   2.225  0.425    0.425 
assign (resid   2 and name   HN)   (resid   3 and name   HN)   2.225  0.425    0.425 
assign (resid   2 and name   HN)   (resid  21 and name HG2#)   0 0 6.5 

assign (resid   2 and name  HA#)   (resid  3 and name    HN)   0 0 3.5 
!
!GLU 3
assign (resid   3 and name   HN)   (resid   3 and name   HA)   0 0 3.5 
assign (resid   3 and name   HN)   (resid   3 and name  HB#)   2.515  0.715    0.715 
assign (resid   3 and name   HN)   (resid   3 and name  HG#)   3.425  1.625    1.625 
assign (resid   3 and name   HN)   (resid   4 and name   HN)   3.650  1.850    1.850 
assign (resid   3 and name   HN)   (resid   4 and name   HA)   3.480  1.680    1.680    
assign (resid   3 and name   HN)   (resid  21 and name HG1#)   0 0 7.0 
assign (resid   3 and name   HN)   (resid  21 and name HG2#)   0 0 7.5 
assign (resid   3 and name   HN)   (resid  22 and name   HN)   0 0 5.0 
assign (resid   3 and name   HN)   (resid  22 and name   HA)   0 0 6.0
assign (resid   3 and name   HN)   (resid  22 and name   HB2)  0 0 6.0 

assign (resid   3 and name   HA)   (resid   3 and name  HB#)   0 0 3.5 
assign (resid   3 and name   HA)   (resid   3 and name  HG#)   0 0 6.0 
assign (resid   3 and name   HA)   (resid   4 and name   HN)   0 0 3.5 
!
assign (resid   3 and name  HB#)   (resid   3 and name  HG#)   0 0 5.5 
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   3.015  1.215    1.215 
assign (resid   3 and name  HB#)   (resid   11 and name HB#)   0 0 5.0 
assign (resid   3 and name  HB#)   (resid  22 and name  HB2)   0 0 4.5 
!
assign (resid   3 and name  HG#)   (resid   4 and name   HN)   3.045  1.245    1.245 
assign (resid   3 and name  HG#)   (resid   11 and name   HN)  0 0 6.0 
assign (resid   3 and name  HG2)   (resid  22 and name   HB2)  0 0 6.0

!THR 4
assign (resid   4 and name   HN)   (resid   4 and name HG2#)   2.940  1.140    1.140 
assign (resid   4 and name   HN)   (resid   22 and name  HN)   0 0 5.0

assign (resid   4 and name   HA)   (resid   4 and name   HB)   0 0 3.5
assign (resid   4 and name   HA)   (resid   4 and name HG2#)   2.800  1.000    1.000 
assign (resid   4 and name   HA)   (resid   5 and name   HN)   0 0 3.5 
assign (resid   4 and name   HA)   (resid   6 and name   HN)   3.435  1.635    1.635 
assign (resid   4 and name   HA)   (resid   21 and name  HA)   0 0 5.0 
assign (resid   4 and name   HA)   (resid   22 and name  HN)   0 0 5.0 
!
assign (resid   4 and name   HB)   (resid   4 and name HG2#)   0 0 4.2 
assign (resid   4 and name   HB)   (resid   5 and name   HN)   0 0 2.7 
assign (resid   4 and name   HB)   (resid   6 and name  HD#)   4.170  2.370    2.370 
assign (resid   4 and name   HB)   (resid   6 and name  HE#)   4.480  2.680    2.680 
assign (resid   4 and name   HB)   (resid   20 and name  HA)   0 0 5.0 
assign (resid   4 and name   HB)   (resid   20 and name HB2)   0 0 6.0 
assign (resid   4 and name   HB)   (resid   21 and name HG1#)  0 0 6.0 
assign (resid   4 and name   HB)   (resid   22 and name  HN)   0 0 5.0 
!
assign (resid   4 and name HG2#)   (resid   5 and name   HN)   0 0 6.5 
assign (resid   4 and name HG2#)   (resid   6 and name  HD#)   4.700  2.900    2.900
assign (resid   4 and name HG2#)   (resid   6 and name  HE#)   0 0 6.0 
assign (resid   4 and name HG2#)   (resid  20 and name HB#)    0 0 7.5 
assign (resid   4 and name HG2#)   (resid  21 and name HN)     0 0 6.0 
assign (resid   4 and name HG2#)   (resid  21 and name HG2#)   0 0 5.5  
!
!CYS 5
assign (resid   5 and name   HN)   (resid   5 and name   HA)   2.350  0.550    0.550 
assign (resid   5 and name   HN)   (resid   5 and name  HB1)   0 0 5.0
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   0 0 5.0 
assign (resid   5 and name   HN)   (resid   6 and name   HA)   0 0 5.0 
assign (resid   5 and name   HN)   (resid   6 and name   HN)   2.565  0.765    0.765 
assign (resid   5 and name   HN)   (resid   6 and name   HA)   0 0 5.0  
assign (resid   5 and name   HN)   (resid   6 and name   HB#)  0 0 6.0   
assign (resid   5 and name   HN)   (resid   6 and name  HD#)   4.710  2.910    2.910  
assign (resid   5 and name   HN)   (resid   6 and name  HE#)   0 0 6.0 
assign (resid   5 and name   HN)   (resid   9 and name  HN)    0 0 5.0 
assign (resid   5 and name   HN)   (resid   19 and name  HA)   0 0 5.0 
assign (resid   5 and name   HN)   (resid   20 and name  HA)   0 0 5.0
assign (resid   5 and name   HN)   (resid   20 and name HB2)   0 0 5.0 
assign (resid   5 and name   HN)   (resid   21 and name  HA)   0 0 3.5 
assign (resid   5 and name   HN)   (resid   22 and name  HN)   0 0 5.0 
!
assign (resid   5 and name   HA)   (resid   5 and name  HB1)   0 0 3.5
assign (resid   5 and name   HA)   (resid   5 and name  HB2)   0 0 3.5 
assign (resid   5 and name   HA)   (resid   6 and name  HN)    0 0 6.0 
assign (resid   5 and name   HA)   (resid   7 and name   HN)   0 0 3.5 
assign (resid   5 and name   HA)   (resid   8 and name   HN)   0 0 3.5
assign (resid   5 and name   HA)   (resid   9 and name   HN)   0 0 3.5 
!
assign (resid   5 and name  HB2)   (resid   6 and name   HN)   0 0 5.0 
assign (resid   5 and name  HB1)   (resid   8 and name   HN)   0 0 5.0
assign (resid   5 and name  HB2)   (resid   8 and name   HN)   0 0 3.5 
assign (resid   5 and name  HB1)   (resid   9 and name   HN)   0 0 3.5 
assign (resid   5 and name  HB2)   (resid   9 and name   HN)   0 0 5.0 
assign (resid   5 and name  HB1)   (resid  10 and name   HN)   0 0 5.0  
assign (resid   5 and name  HB#)   (resid  10 and name  HB#)   4.245  2.445    2.445 
assign (resid   5 and name  HB1)   (resid  17 and name   HA)   4.090  2.290    2.290
!
!PHE 6
assign (resid   6 and name   HN)   (resid   6 and name   HA)   0 0 3.5 
assign (resid   6 and name   HN)   (resid   6 and name   HB1)  0 0 5.0 
assign (resid   6 and name   HN)   (resid   6 and name   HB2)  0 0 5.0 
assign (resid   6 and name   HN)   (resid   6 and name  HD#)   0 0 3.5 
assign (resid   6 and name   HN)   (resid   6 and name  HE#)   4.710  2.910    2.910 
assign (resid   6 and name   HN)   (resid   7 and name   HN)   0 0 3.5
assign (resid   6 and name   HN)   (resid   8 and name   HN)   3.385  1.585    1.585 
assign (resid   6 and name   HN)   (resid   9 and name   HN)   0 0 5.0 
assign (resid   6 and name   HN)   (resid   9 and name  HG#)   4.165  2.365    2.365
!
assign (resid   6 and name   HA)   (resid  6 and name   HB1)   0 0 5.0 
assign (resid   6 and name   HA)   (resid  6 and name   HB2)   0 0 5.0 
assign (resid   6 and name   HA)   (resid  6 and name   HD#)   0 0 6.0
assign (resid   6 and name   HA)   (resid  7 and name   HN)    0 0 3.5     
assign (resid   6 and name   HA)   (resid  19 and name  HE1)   0 0 3.5
!
assign (resid   6 and name   HB1)  (resid   6 and name HB2)    0 0 2.7 
assign (resid   6 and name   HB1)  (resid  6 and name   HD#)   0 0 4.5 
assign (resid   6 and name   HB2)  (resid  6 and name   HD#)   0 0 4.5 
assign (resid   6 and name   HB1)  (resid  6 and name   HE#)   0 0 7.0 
assign (resid   6 and name   HB2)  (resid  6 and name   HE#)   0 0 7.0 
assign (resid   6 and name   HB1)  (resid  7 and name   HN)    0 0 5.0  
assign (resid   6 and name   HB2)  (resid  7 and name   HN)    0 0 5.0  
assign (resid   6 and name   HB1)  (resid  19 and name  HE1)   0 0 5.0 
assign (resid   6 and name   HB1)  (resid  20 and name  HB#)   0 0 6.0
!
assign (resid   6 and name  HD#)   (resid   7 and name   HN)   4.710  2.910    2.910 
assign (resid   6 and name  HD#)   (resid  19 and name  HZ2)   0 0 6.0 
assign (resid   6 and name  HD#)   (resid  20 and name  HB1)   0 0 4.5  
assign (resid   6 and name  HD#)   (resid  20 and name  HG1)   0 0 5.0  
!
assign (resid   6 and name  HE#)   (resid  20 and name  HG#)   0 0 7.0 
assign (resid   6 and name  HE#)   (resid  20 and name  HB#)   0 0 7.0 
assign (resid   6 and name  HE#)   (resid  21 and name HG2#)   4.960  3.160    3.160
assign (resid   6 and name  HE#)   (resid  21 and name HD1#)   0 0 5.0 
!
assign (resid   6 and name    HZ)   (resid  20 and name  HB#)  0 0 6.0 
assign (resid   6 and name   HZ#)   (resid  20 and name  HG#)  0 0 6.0 
assign (resid   6 and name    HZ)   (resid  21 and name  HG#)  0 0 6.5 
!
!GLY 7
assign (resid   7 and name   HN)   (resid   8 and name   HN)   2.300  0.500    0.500
assign (resid   7 and name   HN)   (resid   9 and name   HN)   2.905  1.105    1.105 
assign (resid   7 and name   HN)   (resid   9 and name  HA)    0 0 6.0 
!
assign (resid   7 and name   HA#)   (resid  8 and name   HN)   0 0 3.5 
assign (resid   7 and name  HA#)   (resid   9 and name   HN)   0 0 6.0 
!
!GLY 8
assign (resid   8 and name   HN)   (resid   9 and name   HN)   2.225  0.425    0.425
assign (resid   8 and name   HN)   (resid   9 and name HG2#)   4.165  2.365    2.365 
assign (resid   8 and name   HN)   (resid  19 and name  HD1)   0 0 3.5 
!
assign (resid   8 and name  HA#)   (resid   9 and name   HN)   2.720  0.920    0.920 
!
!THR 9
assign (resid   9 and name   HN)   (resid   9 and name   HA)   0 0 3.5 
assign (resid   9 and name   HN)   (resid   9 and name   HB)   0 0 3.5 
assign (resid   9 and name   HN)   (resid   9 and name HG2#)   0 0 5.0
assign (resid   9 and name   HN)   (resid  10 and name   HN)   0 0 5.0 
!
assign (resid   9 and name   HA)   (resid   9 and name  HB)    0 0 5.0
assign (resid   9 and name   HA)   (resid   9 and name HG#)    0 0 5.0  
assign (resid   9 and name   HA)   (resid  10 and name  HN)    0 0 5.0   
!
assign (resid   9 and name HB)   (resid   9 and name   HG#)    0 0 4.2 

assign (resid   9 and name HG2#)   (resid  10 and name   HN)   3.220  1.420    1.420 
!
!CYS 10
assign (resid  10 and name   HN)   (resid  10 and name  HB#)   0 0 3.5  
assign (resid  10 and name   HN)   (resid  17 and name  HB2)   0 0 5.0
!
assign (resid  10 and name   HA)   (resid  10 and name  HB1)   0 0 3.5  
assign (resid  10 and name   HA)   (resid  10 and name  HB2)   0 0 5.0 
assign (resid  10 and name   HA)   (resid  11 and name   HN)   0 0 2.7 
assign (resid  10 and name   HA)   (resid  12 and name   HN)   0 0 5.0     
!
assign (resid  10 and name  HB1)   (resid  10 and name  HB2)   0 0 3.5 
assign (resid  10 and name  HB2)   (resid  11 and name   HN)   3.065  1.265    1.265 
assign (resid  10 and name  HB1)   (resid  12 and name   HN)   0 0 5.0
assign (resid  10 and name  HB2)   (resid  12 and name   HN)   0 0 5.0 
assign (resid  10 and name  HB1)   (resid  15 and name   HN)   0 0 5.2 
assign (resid  10 and name  HB2)   (resid  15 and name  HB2)   0 0 3.5 
assign (resid  10 and name  HB2)   (resid  15 and name  HB1)   0 0 5.0   
!
!ASN 11
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.850  1.050    1.050 
assign (resid  11 and name   HN)   (resid  11 and name HD2#)   4.085  2.285    2.285 
assign (resid  11 and name   HN)   (resid  12 and name   HN)   2.195  0.395    0.395 
assign (resid  11 and name   HN)   (resid  12 and name   HB)   3.650  1.850    1.850 
!
assign (resid  11 and name   HA)   (resid  12 and name HN)     0 0 3.5 
!
assign (resid  11 and name  HB#)   (resid  12 and name   HN)   3.160  1.360    1.360 
!
!THR 12
assign (resid  12 and name   HN)   (resid  12 and name   HB)   0 0 2.7 
assign (resid  12 and name   HN)   (resid  12 and name   HG#)  0 0 5.0 
assign (resid  12 and name   HN)   (resid  13 and name  HD1)   3.455  1.655    1.655
!
assign (resid  12 and name   HA)   (resid  12 and name   HB)   0 0 5.0
assign (resid  12 and name   HA)   (resid  12 and name HG2#)   2.720  0.920    0.920 
assign (resid  12 and name   HA)   (resid  13 and name  HG#)   3.340  1.540    1.540 
assign (resid  12 and name   HA)   (resid  13 and name  HD#)   2.640  0.840    0.840 
assign (resid  12 and name   HA)   (resid  15 and name  HB#)   0 0 6.0
!
assign (resid  12 and name   HB)   (resid  12 and name HG2#)   0 0 6.5   
assign (resid  12 and name   HB)   (resid  15 and name  HB#)   0 0 6.0 
!
assign (resid  12 and name HG2#)   (resid  13 and name  HD#)   3.315  1.515    1.515
assign (resid  12 and name HG2#)   (resid  15 and name   HN)   4.165  2.365    2.365 
!
!PRO 13
assign (resid  13 and name   HA)   (resid  13 and name  HB#)   0 0 3.7 
assign (resid  13 and name   HA)   (resid  13 and name  HG#)   0 0 6.0
assign (resid  13 and name   HA)   (resid  13 and name  HD#)   0 0 6.5 
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.100  0.300    0.300 
assign (resid  13 and name   HA)   (resid  14 and name  HA#)   3.175  1.375    1.375 
assign (resid  13 and name   HA)   (resid  15 and name   HN)   2.640  0.840    0.840
!
assign (resid  13 and name  HB#)   (resid  13 and name   HD#)  0 0 6.0 
assign (resid  13 and name  HB#)   (resid  14 and name   HN)   2.890  1.090    1.090 
!
assign (resid  13 and name  HD#)   (resid  15 and name  HB#)   0 0 5.5 
assign (resid  13 and name  HD#)   (resid  15 and name   HN)   0 0 6.0  
!
!GLY 14
assign (resid  14 and name   HN)   (resid  14 and name  HA#)   0 0 3.7
assign (resid  14 and name   HN)   (resid  15 and name   HN)   2.240  0.440    0.440 
!
assign (resid  14 and name  HA#)   (resid  15 and name   HN)   0 0 3.5   
!
!CYS 15
assign (resid  15 and name   HN)   (resid  15 and name   HA)   2.350  0.550    0.550 
assign (resid  15 and name   HN)   (resid  15 and name  HB1)   0 0 3.6  
assign (resid  15 and name   HN)   (resid  15 and name  HB2)   0 0 5.0 
assign (resid  15 and name   HN)   (resid  16 and name   HN)   3.230  1.430    1.430
assign (resid  15 and name   HN)   (resid  22 and name   HB1)  0 0 6.0 
!
assign (resid  15 and name   HA)   (resid  15 and name  HB1)   0 0 3.5 
assign (resid  15 and name   HA)   (resid  15 and name  HB2)   0 0 3.5 
assign (resid   15 and name  HA)   (resid  16 and name   HN)   0 0 2.7  
assign (resid  15 and name   HA)   (resid  22 and name  HB#)   0 0 6.0  
assign (resid  15 and name   HA)   (resid  23 and name   HN)   0 0 5.0 
assign (resid  15 and name   HA)   (resid  24 and name   HA)   2.735  0.935    0.935
assign (resid  15 and name   HA)   (resid  24 and name  HB#)   3.795  1.995    1.995 
!
assign (resid  15 and name  HB#)   (resid  16 and name   HN)   2.650  0.850    0.850
assign (resid  15 and name  HB2)   (resid  23 and name   HN)   3.905  2.105    2.105
assign (resid  15 and name  HB1)   (resid  23 and name   HN)   0 0 6.0 
!
!SER 16
assign (resid  16 and name   HN)   (resid  16 and name  HB1)   2.830  1.030    1.030 
assign (resid  16 and name   HN)   (resid  16 and name  HB2)   2.830  1.030    1.030
assign (resid  16 and name   HN)   (resid  17 and name   HN)   3.155  1.355    1.355 
assign (resid  16 and name   HN)   (resid  18 and name   HN)   0 0 6.0 
assign (resid  16 and name   HN)   (resid  22 and name   HB1)  0 0 6.0 
assign (resid  16 and name   HN)   (resid  23 and name   HN)   0 0 3.5 
assign (resid  16 and name   HN)   (resid  22 and name   HA)   0 0 5.0 
assign (resid  16 and name   HN)   (resid  24 and name   HA)   3.260  1.460    1.460
assign (resid  16 and name   HN)   (resid  24 and name  HB#)   0 0 6.0 
!
assign (resid  16 and name   HA)   (resid  16 and name  HB1)   0 0 3.5
assign (resid  16 and name   HA)   (resid  16 and name  HB2)   0 0 3.5 
assign (resid  16 and name   HA)   (resid  17 and name   HN)   0 0 5.0    
assign (resid  16 and name   HA)   (resid  23 and name   HN)   0 0 5.0 
!
assign (resid  16 and name  HB#)   (resid  25 and name   HN)   0 0 6.0
!
!CYS 17
assign (resid  17 and name   HN)   (resid  17 and name  HB1)   0 0 3.5 
assign (resid  17 and name   HN)   (resid  17 and name  HB2)   0 0 3.5 
assign (resid  17 and name   HN)   (resid  18 and name   HN)   3.650  1.850    1.850 
assign (resid  17 and name   HN)   (resid  22 and name   HA)   3.385  1.585    1.585 
!
assign (resid  17 and name   HA)   (resid  17 and name  HB1)   0 0 3.5 
assign (resid  17 and name   HA)   (resid  17 and name  HB2)   0 0 3.5 
assign (resid  17 and name   HA)   (resid  18 and name   HN)   0 0 2.7     
assign (resid  17 and name   HA)   (resid  22 and name   HA)   0 0 3.5 
assign (resid  17 and name   HA)   (resid  22 and name  HB#)   4.090  2.290    2.290
assign (resid  17 and name   HA)   (resid  23 and name   HN)   0 0 3.5 
!
assign (resid  17 and name  HB1)   (resid  17 and name  HB2)   0 0 2.7 
assign (resid  17 and name  HB1)   (resid  18 and name   HN)   3.625  1.825    1.825
assign (resid  17 and name  HB2)   (resid  18 and name   HN)   0 0 5.0 
assign (resid  17 and name  HB1)   (resid  19 and name   HN)   0 0 5.0
assign (resid  17 and name  HB2)   (resid  19 and name   HN)   0 0 5.0 
!
!THR 18
assign (resid  18 and name   HN)   (resid  18 and name   HA)   2.350  0.550    0.550 
assign (resid  18 and name   HN)   (resid  18 and name   HB)   0 0 2.7 
assign (resid  18 and name   HN)   (resid  19 and name   HN)   2.830  1.030    1.030
assign (resid  18 and name   HN)   (resid  21 and name   HN)   3.355  1.555    1.555 
assign (resid  18 and name   HN)   (resid  22 and name   HA)   0 0 5.0 
assign (resid  18 and name   HN)   (resid  23 and name   HN)   0 0 5.0 
!
assign (resid  18 and name   HA)   (resid  18 and name HG2#)   2.755  0.955    0.955
assign (resid  18 and name   HA)   (resid  19 and name   HN)   0 0 3.5    
assign (resid  18 and name   HA)   (resid  19 and name   HA)   3.170  1.370    1.370 
!
assign (resid  18 and name   HB)   (resid  21 and name  HG2#)  0 0 5.0 
!
assign (resid  18 and name  HG2#)   (resid  19 and name   HN)  0 0 6.5 
!
!TRP 19
assign (resid  19 and name   HN)   (resid  19 and name   HA)   2.300  0.500    0.500
assign (resid  19 and name   HN)   (resid  19 and name  HB#)   2.570  0.770    0.770
assign (resid  19 and name   HN)   (resid  20 and name   HA)   0 0 5.0 
assign (resid  19 and name   HN)   (resid  20 and name  HD#)   4.090  2.290    2.290 
assign (resid  19 and name   HN)   (resid  21 and name   HN)   3.400  1.600    1.600 
assign (resid  19 and name   HN)   (resid  22 and name   HA)   3.650  1.850    1.850 
!
assign (resid  19 and name   HA)   (resid  19 and name  HB#)   0 0 4.5 
assign (resid  19 and name   HA)   (resid  19 and name  HD1)   3.295  1.495    1.495
assign (resid  19 and name   HA)   (resid  19 and name  HE3)   3.480  1.680    1.680
assign (resid  19 and name   HA)   (resid  20 and name   HA)   0 0 3.5  
assign (resid  19 and name   HA)   (resid  21 and name   HN)   0 0 5.0 
!
assign (resid  19 and name   HB#)  (resid  19 and name  HE3)   0 0 4.5 
assign (resid  19 and name   HB#)  (resid  19 and name  HZ3)   0 0 6.0 
assign (resid  19 and name   HB#)  (resid  21 and name   HN)   0 0 6.0 
!
assign (resid  19 and name  HD1)   (resid  19 and name   HE1)  0 0 6.0 
assign (resid  19 and name  HD1)   (resid  20 and name   HA)   3.340  1.540    1.540
assign (resid  19 and name  HD1)   (resid  20 and name  HB#)   3.650  1.850    1.850
assign (resid  19 and name  HD1)   (resid  20 and name  HG#)   4.090  2.290    2.290
!
assign (resid  19 and name  HE1)   (resid  19 and name  HZ2)   0 0 3.5 
!
assign (resid  19 and name  HE3)   (resid  20 and name  HB#)   0 0 6.0
assign (resid  19 and name  HE3)   (resid  20 and name  HG#)   4.090  2.290    2.290
assign (resid  19 and name  HE3)   (resid  20 and name  HD#)   4.090  2.290    2.290
!
assign (resid  19 and name  HZ3)   (resid  20 and name  HD#)   4.090  2.290    2.290
assign (resid  19 and name  HZ3)   (resid  20 and name  HB#)   0 0 6.0
assign (resid  19 and name  HZ3)   (resid  20 and name  HG#)   0 0 6.0 
!
assign (resid  19 and name  HZ2)   (resid  6 and name   HB#)  0 0 6.0 
!
!PRO 20 
assign (resid  20 and name   HA)   (resid  20 and name  HB#)   0 0 6.0 
assign (resid  20 and name   HA)   (resid  20 and name  HG#)   0 0 6.0 
assign (resid  20 and name   HA)   (resid  20 and name  HD#)   0 0 6.0 
assign (resid  20  and name  HA)   (resid  21 and name   HN)   0 0 5.0     
!
assign (resid  20 and name   HB#)   (resid  20 and name HD#)   0 0 5.5 
assign (resid  20 and name   HB#)   (resid  21 and name  HN)   0 0 5.0 
assign (resid  20 and name   HB#)   (resid  21 and name  HA)   0 0 6.0 
!
assign (resid  20 and name  HG#)   (resid  20 and name   HD#)  0 0 5.5 
assign (resid  20 and name  HG#)   (resid  21 and name    HN)  0 0 5.0 
assign (resid  20 and name  HG#)   (resid  21 and name  HD1#)  0 0 7.0 
!
assign (resid  20 and name  HD#)   (resid  21 and name   HN)   3.510  1.710    1.710
assign (resid  20 and name  HD#)   (resid  21 and name  HG1#)  0 0 5.5 
!
!ILE 21
assign (resid  21 and name   HN)   (resid  21 and name   HA)   0 0 3.5 
assign (resid  21 and name   HN)   (resid  21 and name   HB)   0 0 5.0 
assign (resid  21 and name   HN)   (resid  21 and name HG1#)   4.090  2.290    2.290
assign (resid  21 and name   HN)   (resid  21 and name HD1#)   4.165  2.365    2.365
assign (resid  21 and name   HN)   (resid  22 and name   HN)   3.480  1.680    1.680 
!
assign (resid  21 and name   HA)   (resid  21 and name   HB)   0 0 5.0 
assign (resid  21 and name   HA)   (resid  21 and name HD1#)   3.000  1.200    1.200
assign (resid  21 and name   HA)   (resid  22 and name   HN)   2.255  0.455    0.455
!
assign (resid  21 and name   HB)   (resid  21 and name   HG#)  0 0 5.0
assign (resid  21 and name   HB)   (resid  22 and name   HN)   3.200  1.400    1.400
!
assign (resid  21 and name HG2#)   (resid  22 and name   HN)   3.530  1.730    1.730
assign (resid  21 and name HG2#)   (resid  23 and name   HA)   0 0 4.5
assign (resid  21 and name HG2#)   (resid  28 and name   HA)   3.435  1.635    1.635
assign (resid  21 and name HG2#)   (resid  28 and name  HB#)   4.090  2.290    2.290
!
assign (resid  21 and name HD1#)   (resid  22 and name   HN)   3.885  2.085    2.085
!
!CYS 22
assign (resid  22 and name   HN)   (resid  22 and name   HA)   0 0 3.5 
assign (resid  22 and name   HN)   (resid  22 and name  HB1)   0 0 5.0
assign (resid  22 and name   HN)   (resid  22 and name  HB2)   0 0 5.0 
assign (resid  22 and name   HN)   (resid  23 and name   HN)   0 0 5.0 
!
assign (resid  22 and name   HA)   (resid  22 and name   HB1)  0 0 3.5
assign (resid  22 and name   HA)   (resid  22 and name   HB2)  0 0 3.5 
assign (resid  22 and name   HA)   (resid  23 and name   HN)   2.100  0.300    0.300
!
assign (resid  22 and name  HB1)   (resid  22 and name  HB2)   0 0 3.5 
assign (resid  22 and name  HB#)   (resid  23 and name   HN)   4.090  2.290    2.290
!
!THR 23
assign (resid  23 and name   HN)   (resid  23 and name   HA)   0 0 3.5 
assign (resid  23 and name   HN)   (resid  23 and name  HB#)   0 0 4.5 
assign (resid  23 and name   HN)   (resid  23 and name HG2#)   3.205  1.405    1.405
assign (resid  23 and name   HN)   (resid  24 and name   HN)   0 0 6.0
!
assign (resid  23 and name   HA)   (resid  23 and name   HB)   2.300  0.500    0.500
assign (resid  23 and name   HA)   (resid  23 and name HG2#)   2.740  0.940    0.940
assign (resid  23 and name   HA)   (resid  24 and name   HN)   0 0 3.5 
assign (resid  23 and name   HA)   (resid  26 and name   HN)   0 0 5.0   
assign (resid  23 and name   HA)   (resid  27 and name   HN)   0 0 5.0   
!
assign (resid  23 and name   HB)   (resid  23 and name  HG#)   0 0 5.0  
assign (resid  23 and name   HB)   (resid  24 and name   HN)   0 0 3.5 
assign (resid  23 and name   HB)   (resid  25 and name   HN)   3.650  1.850    1.850
assign (resid  23 and name   HB)   (resid  26 and name   HN)   0 0 2.7 
assign (resid  23 and name   HB)   (resid  27 and name   HN)   2.330  0.530    0.530
!
assign (resid  23 and name HG2#)   (resid  24 and name   HN)   0 0 4.5  
assign (resid  23 and name HG2#)   (resid  26 and name   HN)   4.165  2.365    2.365
assign (resid  23 and name HG2#)   (resid  26 and name  HA#)   0 0 5.0 
assign (resid  23 and name HG2#)   (resid  27 and name   HN)   3.635  1.835    1.835
assign (resid  23 and name HG2#)   (resid  28 and name  HB#)   4.605  2.805    2.805
!
!ARG 24
assign (resid  24 and name   HN)   (resid  24 and name   HA)   0 0 3.5
assign (resid  24 and name   HN)   (resid  24 and name  HB#)   2.865  1.065    1.065 
assign (resid  24 and name   HN)   (resid  24 and name  HG#)   4.090  2.290    2.290
assign (resid  24 and name   HN)   (resid  24 and name  HD#)   4.090  2.290    2.290 
assign (resid  24 and name   HN)   (resid  25 and name   HN)   0 0 5.0 
assign (resid  24 and name   HN)   (resid  27 and name   HN)   2.615  0.515    0.515 
assign (resid  24 and name   HN)   (resid  27 and name   HA)   0 0 5.0 
assign (resid  24 and name   HN)   (resid  27 and name  HB#)   3.530  1.730    1.730 
!
assign (resid  24 and name   HA)   (resid  24 and name  HB#)   0 0 3.5  
assign (resid  24 and name   HA)   (resid  24 and name  HD#)   4.090  2.290    2.290 
assign (resid  24  and name  HA)   (resid  25 and name   HN)   0 0 3.5    
assign (resid  24 and name   HA)   (resid  26 and name   HN)   0 0 5.0          
!
assign (resid  24 and name  HB#)   (resid  24 and name   HG#)  0 0 4.5   
assign (resid  24 and name  HB#)   (resid  24 and name   HD#)  0 0 5.5    
assign (resid  24 and name  HB#)   (resid  24 and name   HE)   3.575  1.775    1.775      
assign (resid  24 and name  HB#)   (resid  25 and name   HN)   3.080  1.280    1.280
assign (resid  24 and name  HB#)   (resid  27 and name   HN)   0 0 4.5
!
assign (resid  24 and name  HG#)   (resid  24 and name   HD#)  0 0 5.5
assign (resid  24 and name  HG#)   (resid  25 and name   HN)   4.090  2.290    2.290
!
assign (resid  24 and name  HD#)   (resid  24 and name   HE)   0 0 6.0 
!
assign (resid  25 and name   HN)   (resid  25 and name   HA)   0 0 3.5 
assign (resid  25 and name   HN)   (resid  25 and name  HB#)   2.675  0.875    0.875
assign (resid  25 and name   HN)   (resid  26 and name   HN)   2.315  0.515    0.515 
assign (resid  25 and name   HN)   (resid  27 and name   HN)   3.400  1.600    1.600 
assign (resid  25 and name   HN)   (resid  27 and name  HB#)   0 0 6.0 
!
assign (resid  25 and name   HA)   (resid  25 and name  HB#)   2.260  0.460    0.460
assign (resid  25 and name   HA)   (resid  26 and name   HN)   2.270  0.470    0.470
assign (resid  25 and name   HA)   (resid  27 and name   HN)   3.420  1.620    1.620
!
!ASP 25
assign (resid  25 and name  HB1)   (resid  26 and name    HN)  0 0 6.0  
assign (resid  25 and name  HB2)   (resid  26 and name    HN)  0 0 6.0 
assign (resid  25 and name  HB1)   (resid  27 and name    HN)  0 0 6.0 
assign (resid  25 and name  HB2)   (resid  27 and name    HN)  0 0 5.0 
!
!GLY 26
assign (resid  26 and name   HN)   (resid  26 and name  HA#)   0 0 4.5
assign (resid  26 and name   HN)   (resid  27 and name   HN)   2.380  0.580    0.580 
!
assign (resid  26 and name  HA#)   (resid  27 and name   HN)   2.660  0.860    0.860
assign (resid  26 and name  HA#)   (resid  27 and name   HA)   0 0 6.0 
!
!LEU 27
assign (resid  27 and name   HN)   (resid  27 and name   HA)   2.315  0.515    0.515 
assign (resid  27 and name   HN)   (resid  27 and name  HB#)   2.285  0.485    0.485 
assign (resid  27 and name   HN)   (resid  27 and name   HG)   3.650  1.850    1.850 
assign (resid  27 and name   HN)   (resid  27 and name HD1#)   3.930  2.130    2.130 
assign (resid  27 and name   HN)   (resid  27 and name HD2#)   3.930  2.130    2.130 
assign (resid  27 and name   HN)   (resid  28 and name  HD#)   0 0 5.0
!
assign (resid  27 and name   HA)   (resid  27 and name  HB#)   2.365  0.565    0.565
assign (resid  27 and name   HA)   (resid  27 and name   HG)   2.505  0.705    0.705
assign (resid  27 and name   HA)   (resid  27 and name HD1#)   4.040  2.240    2.240
assign (resid  27 and name   HA)   (resid  27 and name HD2#)   4.040  2.240    2.240
assign (resid  27 and name   HA)   (resid  28 and name  HG#)   0 0 6.0 
assign (resid  27 and name   HA)   (resid  28 and name  HD#)   2.520  0.720    0.720
!
assign (resid  27 and name  HB#)   (resid  27 and name  HG)    0 0 3.7  
assign (resid  27 and name  HB#)   (resid  27 and name  HD#)   0 0 7.0  
assign (resid  27 and name  HB#)   (resid  28 and name  HD#)   4.525  2.725    2.725
!
assign (resid  27 and name   HG)   (resid  28 and name  HD#)   3.035  1.235    1.235
!
assign (resid  27 and name  HD#)   (resid  28 and name  HG#)   0 0 7.0
assign (resid  27 and name  HD#)   (resid  28 and name  HD#)   4.335  2.535    2.535
!
assign (resid  27 and name  HA)   (resid  28 and name  HB#)    0 0 4.5 
assign (resid  27 and name  HA)   (resid  28 and name  HG#)    0 0 4.5
assign (resid  27 and name  HA)   (resid  28 and name  HD#)    0 0 6.0 
!
assign (resid  27 and name  HB#)   (resid  28 and name  HD#)   0 0 3.5   
assign (resid  27 and name  HB#)   (resid  28 and name  HG#)   0 0 3.5 
!
!PRO 28
assign (resid  28 and name  HG#)   (resid  28 and name  HD#)   0 0 7.0 

!H-bond restraints for Kalata B2.
!Determined from the slow exchange D2O data at 298K (16hrs)
!
assign (resid 4 and name  O)(resid 23 and name HN) 1.88 0.3 0.42
assign (resid 4 and name  O)(resid 23 and name N) 1.88 0.3 1.33
assign (resid 17 and name O)(resid 24 and name HN) 1.88 0.3 0.42
assign (resid 17 and name O)(resid 24 and name N) 1.88 0.3 1.33
assign (resid 19 and name O)(resid 22 and name HN) 1.88 0.3 0.42
assign (resid 19 and name O)(resid 22 and name N) 1.88 0.3 1.33

!dihed table for kalata B2
!set message=off echo=off end
!restraints dihedral reset
assign (resid 1 and name c)(resid 2 and name n)  
       (resid 2 and name ca)(resid 2 and name c) 1.0 -120 40 2 
assign (resid 3 and name c)(resid 4 and name n) 
       (resid 4 and name ca)(resid 4 and name c) 1.0 -120 30 2
assign (resid 5 and name c)(resid 6 and name n) 
       (resid 6 and name ca)(resid 6 and name c) 1.0 -120 40 2
assign (resid 6 and name c)(resid 7 and name n)  
       (resid 7 and name ca)(resid 7 and name c) 1.0 -100 80 2 
assign (resid 9 and name c)(resid 10 and name n) 
       (resid 10 and name ca)(resid 10 and name c) 1.0 -120 30 2
assign (resid 10 and name c)(resid 11 and name n)  
       (resid 11 and name ca)(resid 11 and name c) 1.0 -120 40 2
assign (resid 16 and name c)(resid 17 and name n) 
       (resid 17 and name ca)(resid 17 and name c) 1.0 -120 40 2  
assign (resid 23 and name c)(resid 24 and name n) 
       (resid 24 and name ca)(resid 24 and name c) 1.0 -120 30 2
assign (resid 24 and name c)(resid 25 and name n) 
       (resid 25 and name ca)(resid 25 and name c) 1.0 -120 30 2
assign (resid 25 and name c)(resid 26 and name n)
       (resid 26 and name ca)(resid 26 and name c) 1.0 60 30 2
!
!
!chi angles
!
assign (resid 2 and name n)(resid 2 and name ca)
       (resid 2 and name cb)(resid 2 and name sg) 1.0 -60 30 2
assign (resid 6 and name n)(resid 6 and name ca)
       (resid 6 and name cb)(resid 6 and name sg) 1.0 60 30 2 
assign (resid 11 and name n)(resid 11 and name ca)
       (resid 11 and name cb)(resid 11 and name sg) 1.0 -60 30 2
assign (resid 16 and name n)(resid 16 and name ca)
       (resid 16 and name cb)(resid 16 and name sg) 1.0 -60 30 2
assign (resid 18 and name n)(resid 18 and name ca)
       (resid 18 and name cb)(resid 18 and name sg) 1.0 -180 30 2
assign (resid 23 and name n)(resid 23 and name ca)
       (resid 23 and name cb)(resid 23 and name sg) 1.0 -60 30 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    CYS   1           H        CYS   1   3.301   2.414  -3.840
    2    HA   CYS   1           HA       CYS   1   5.108   0.203  -4.159
    3   1HB   CYS   1          2HB       CYS   1   2.605   0.614  -2.524
    4   2HB   CYS   1          1HB       CYS   1   3.460  -0.918  -2.575
    5    H    GLY   2           H        GLY   2   2.046   1.231  -5.370
    6   1HA   GLY   2          2HA       GLY   2   0.684   0.399  -7.011
    7   2HA   GLY   2          1HA       GLY   2   2.025  -0.636  -7.475
    8    H    GLU   3           H        GLU   3   0.465  -0.652  -4.316
    9    HA   GLU   3           HA       GLU   3  -0.974  -3.089  -5.000
   10   1HB   GLU   3          2HB       GLU   3   1.458  -3.488  -4.033
   11   2HB   GLU   3          1HB       GLU   3   0.661  -3.156  -2.501
   12   1HG   GLU   3          2HG       GLU   3  -1.013  -4.930  -3.120
   13   2HG   GLU   3          1HG       GLU   3   0.054  -5.350  -4.458
   14    H    THR   4           H        THR   4  -2.834  -3.303  -3.892
   15    HA   THR   4           HA       THR   4  -3.492  -1.156  -2.020
   16    HB   THR   4           HB       THR   4  -5.845  -1.921  -2.356
   17    HG1  THR   4           1HG      THR   4  -4.853  -4.057  -3.276
   18   1HG2  THR   4          1HG2      THR   4  -4.607  -1.299  -5.022
   19   2HG2  THR   4          2HG2      THR   4  -4.597  -0.112  -3.718
   20   3HG2  THR   4          3HG2      THR   4  -6.130  -0.721  -4.343
   21    H    CYS   5           H        CYS   5  -4.297  -1.541  -0.003
   22    HA   CYS   5           HA       CYS   5  -4.090  -4.298   0.971
   23   1HB   CYS   5          2HB       CYS   5  -3.492  -3.343   3.169
   24   2HB   CYS   5          1HB       CYS   5  -2.325  -2.940   1.917
   25    H    PHE   6           H        PHE   6  -6.389  -4.029  -0.012
   26    HA   PHE   6           HA       PHE   6  -8.396  -2.638   1.327
   27   1HB   PHE   6          2HB       PHE   6  -8.391  -5.151  -0.312
   28   2HB   PHE   6          1HB       PHE   6  -9.863  -4.642   0.505
   29    HD1  PHE   6           1HD      PHE   6  -7.229  -2.682  -1.276
   30    HD2  PHE   6           2HD      PHE   6 -11.313  -3.859  -1.088
   31    HE1  PHE   6           1HE      PHE   6  -7.748  -1.163  -3.139
   32    HE2  PHE   6           2HE      PHE   6 -11.840  -2.343  -2.952
   33    HZ   PHE   6           HZ       PHE   6 -10.056  -0.991  -3.980
   34    H    GLY   7           H        GLY   7  -6.845  -5.694   2.078
   35   1HA   GLY   7          2HA       GLY   7  -8.608  -6.025   4.407
   36   2HA   GLY   7          1HA       GLY   7  -7.547  -7.261   3.740
   37    H    GLY   8           H        GLY   8  -6.195  -4.134   3.941
   38   1HA   GLY   8          2HA       GLY   8  -4.631  -3.185   5.327
   39   2HA   GLY   8          1HA       GLY   8  -5.253  -4.200   6.621
   40    H    THR   9           H        THR   9  -3.846  -5.203   3.537
   41    HA   THR   9           HA       THR   9  -1.410  -6.030   4.842
   42    HB   THR   9           HB       THR   9  -2.921  -7.924   5.289
   43    HG1  THR   9           1HG      THR   9  -1.286  -9.226   4.962
   44   1HG2  THR   9          1HG2      THR   9  -3.930  -7.437   2.769
   45   2HG2  THR   9          2HG2      THR   9  -4.275  -8.851   3.766
   46   3HG2  THR   9          3HG2      THR   9  -2.999  -8.918   2.551
   47    H    CYS  10           H        CYS  10   0.287  -6.402   3.418
   48    HA   CYS  10           HA       CYS  10  -0.214  -6.235   0.558
   49   1HB   CYS  10          2HB       CYS  10   1.249  -4.164   2.158
   50   2HB   CYS  10          1HB       CYS  10   1.731  -4.480   0.496
   51    H    ASN  11           H        ASN  11   1.234  -7.255  -0.657
   52    HA   ASN  11           HA       ASN  11   3.062  -9.064   0.613
   53   1HB   ASN  11          2HB       ASN  11   1.894  -9.808  -1.353
   54   2HB   ASN  11          1HB       ASN  11   2.462  -8.425  -2.281
   55   1HD2  ASN  11          1HD2      ASN  11   4.120  -8.759  -3.554
   56   2HD2  ASN  11          2HD2      ASN  11   5.272 -10.040  -3.414
   57    H    THR  12           H        THR  12   3.343  -6.171  -1.389
   58    HA   THR  12           HA       THR  12   6.139  -6.175  -1.665
   59    HB   THR  12           HB       THR  12   4.340  -3.743  -1.595
   60    HG1  THR  12           1HG      THR  12   3.518  -5.193  -3.116
   61   1HG2  THR  12          1HG2      THR  12   7.111  -3.961  -1.867
   62   2HG2  THR  12          2HG2      THR  12   6.115  -2.559  -2.261
   63   3HG2  THR  12          3HG2      THR  12   6.508  -3.740  -3.510
   64    HA   PRO  13           HA       PRO  13   7.168  -5.336   2.597
   65   1HB   PRO  13          2HB       PRO  13   9.862  -5.254   2.219
   66   2HB   PRO  13          1HB       PRO  13   8.938  -6.756   2.331
   67   1HG   PRO  13          2HG       PRO  13   9.919  -5.311  -0.098
   68   2HG   PRO  13          1HG       PRO  13   9.931  -7.049   0.252
   69   1HD   PRO  13          2HD       PRO  13   8.076  -5.909  -1.348
   70   2HD   PRO  13          1HD       PRO  13   7.709  -7.306  -0.315
   71    H    GLY  14           H        GLY  14   7.749  -3.626   3.818
   72   1HA   GLY  14          2HA       GLY  14   8.386  -1.499   4.391
   73   2HA   GLY  14          1HA       GLY  14   9.181  -1.370   2.832
   74    H    CYS  15           H        CYS  15   5.777  -2.149   2.995
   75    HA   CYS  15           HA       CYS  15   5.235   0.572   2.048
   76   1HB   CYS  15          2HB       CYS  15   3.926  -2.048   1.319
   77   2HB   CYS  15          1HB       CYS  15   3.263  -0.478   0.883
   78    H    SER  16           H        SER  16   4.037   1.783   3.310
   79    HA   SER  16           HA       SER  16   2.754   0.672   5.641
   80   1HB   SER  16          2HB       SER  16   3.955   2.873   5.667
   81   2HB   SER  16          1HB       SER  16   2.713   3.521   4.598
   82    HG   SER  16           HG       SER  16   2.629   3.571   7.153
   83    H    CYS  17           H        CYS  17   0.659   0.094   5.760
   84    HA   CYS  17           HA       CYS  17  -0.920   0.216   3.396
   85   1HB   CYS  17          2HB       CYS  17  -1.141  -1.740   4.757
   86   2HB   CYS  17          1HB       CYS  17  -1.543  -0.780   6.178
   87    H    THR  18           H        THR  18  -1.309   2.330   2.918
   88    HA   THR  18           HA       THR  18  -2.779   3.976   4.817
   89    HB   THR  18           HB       THR  18  -2.073   4.665   1.954
   90    HG1  THR  18           1HG      THR  18  -0.465   4.424   4.177
   91   1HG2  THR  18          1HG2      THR  18  -2.767   6.767   2.420
   92   2HG2  THR  18          2HG2      THR  18  -2.112   6.725   4.058
   93   3HG2  THR  18          3HG2      THR  18  -3.677   5.988   3.714
   94    H    TRP  19           H        TRP  19  -4.313   2.169   4.768
   95    HA   TRP  19           HA       TRP  19  -5.829   1.000   3.051
   96   1HB   TRP  19          2HB       TRP  19  -6.207   1.260   5.574
   97   2HB   TRP  19          1HB       TRP  19  -7.290   2.582   5.147
   98    HD1  TRP  19           HD       TRP  19  -6.879  -1.151   4.134
   99    HE1  TRP  19           1HE      TRP  19  -9.231  -2.173   3.901
  100    HE3  TRP  19           3HE      TRP  19  -9.668   3.018   5.129
  101    HZ2  TRP  19           2HZ      TRP  19 -11.913  -1.315   4.106
  102    HZ3  TRP  19           3HZ      TRP  19 -12.121   2.832   5.087
  103    HH2  TRP  19           HH       TRP  19 -13.218   0.710   4.587
  104    HA   PRO  20           HA       PRO  20  -6.750   0.285   1.927
  105   1HB   PRO  20          2HB       PRO  20  -8.003  -0.241  -0.362
  106   2HB   PRO  20          1HB       PRO  20  -8.911   0.185   1.093
  107   1HG   PRO  20          2HG       PRO  20  -8.420   1.779  -1.346
  108   2HG   PRO  20          1HG       PRO  20  -9.734   1.906  -0.166
  109   1HD   PRO  20          2HD       PRO  20  -7.290   3.454  -0.319
  110   2HD   PRO  20          1HD       PRO  20  -8.657   3.655   0.797
  111    H    ILE  21           H        ILE  21  -4.775   2.378   0.829
  112    HA   ILE  21           HA       ILE  21  -3.603   0.613  -1.233
  113    HB   ILE  21           HB       ILE  21  -3.554   3.638  -1.307
  114   1HG1  ILE  21          2HG1      ILE  21  -4.969   1.683  -3.135
  115   2HG1  ILE  21          1HG1      ILE  21  -5.757   2.664  -1.906
  116   1HG2  ILE  21          1HG2      ILE  21  -2.462   3.361  -3.480
  117   2HG2  ILE  21          2HG2      ILE  21  -2.455   1.612  -3.255
  118   3HG2  ILE  21          3HG2      ILE  21  -1.507   2.641  -2.183
  119   1HD1  ILE  21          1HD1      ILE  21  -5.915   3.508  -4.263
  120   2HD1  ILE  21          2HD1      ILE  21  -4.187   3.845  -4.175
  121   3HD1  ILE  21          3HD1      ILE  21  -5.302   4.662  -3.079
  122    H    CYS  22           H        CYS  22  -1.502   0.079  -0.896
  123    HA   CYS  22           HA       CYS  22  -0.227   1.076   1.477
  124   1HB   CYS  22          2HB       CYS  22   0.494  -1.018  -0.538
  125   2HB   CYS  22          1HB       CYS  22   1.668  -0.473   0.659
  126    H    THR  23           H        THR  23   1.322   2.500   1.689
  127    HA   THR  23           HA       THR  23   2.415   3.719  -0.771
  128    HB   THR  23           HB       THR  23   2.665   5.807   0.543
  129    HG1  THR  23           1HG      THR  23   0.903   5.086   2.521
  130   1HG2  THR  23          1HG2      THR  23   0.088   6.135   0.887
  131   2HG2  THR  23          2HG2      THR  23  -0.016   4.549   0.123
  132   3HG2  THR  23          3HG2      THR  23   0.740   5.892  -0.734
  133    H    ARG  24           H        ARG  24   4.546   4.320  -0.827
  134    HA   ARG  24           HA       ARG  24   6.311   2.941   1.053
  135   1HB   ARG  24          2HB       ARG  24   6.693   2.536  -1.343
  136   2HB   ARG  24          1HB       ARG  24   6.858   4.263  -1.622
  137   1HG   ARG  24          2HG       ARG  24   9.021   3.156  -1.598
  138   2HG   ARG  24          1HG       ARG  24   8.881   4.304  -0.267
  139   1HD   ARG  24          2HD       ARG  24   9.940   2.195   0.422
  140   2HD   ARG  24          1HD       ARG  24   8.438   2.506   1.287
  141    HE   ARG  24           HE       ARG  24   7.651   0.546   0.468
  142   1HH1  ARG  24          1HH1      ARG  24  10.172   1.636  -1.708
  143   2HH1  ARG  24          2HH1      ARG  24  10.062   0.248  -2.735
  144   1HH2  ARG  24          1HH2      ARG  24   7.513  -1.289  -0.877
  145   2HH2  ARG  24          2HH2      ARG  24   8.545  -1.420  -2.261
  146    H    ASP  25           H        ASP  25   5.910   4.392   2.739
  147    HA   ASP  25           HA       ASP  25   6.362   6.135   4.101
  148   1HB   ASP  25          2HB       ASP  25   8.710   5.779   3.149
  149   2HB   ASP  25          1HB       ASP  25   8.367   7.135   2.079
  150    H    GLY  26           H        GLY  26   4.148   6.367   2.662
  151   1HA   GLY  26          2HA       GLY  26   2.636   8.169   2.503
  152   2HA   GLY  26          1HA       GLY  26   3.990   9.253   2.242
  153    H    LEU  27           H        LEU  27   5.071   7.392   0.113
  154    HA   LEU  27           HA       LEU  27   3.422   8.488  -2.014
  155   1HB   LEU  27          2HB       LEU  27   6.128   7.172  -2.026
  156   2HB   LEU  27          1HB       LEU  27   5.291   7.665  -3.488
  157    HG   LEU  27           HG       LEU  27   6.022   9.554  -1.264
  158   1HD1  LEU  27          1HD1      LEU  27   7.983  10.105  -2.334
  159   2HD1  LEU  27          2HD1      LEU  27   7.431   9.487  -3.890
  160   3HD1  LEU  27          3HD1      LEU  27   7.918   8.366  -2.619
  161   1HD2  LEU  27          1HD2      LEU  27   4.784  11.032  -2.355
  162   2HD2  LEU  27          2HD2      LEU  27   4.316   9.784  -3.509
  163   3HD2  LEU  27          3HD2      LEU  27   5.742  10.775  -3.812
  164    HA   PRO  28           HA       PRO  28   1.475   4.486  -2.506
  165   1HB   PRO  28          2HB       PRO  28   0.118   5.696  -4.792
  166   2HB   PRO  28          1HB       PRO  28  -0.563   5.126  -3.266
  167   1HG   PRO  28          2HG       PRO  28  -0.432   7.752  -3.917
  168   2HG   PRO  28          1HG       PRO  28  -0.325   7.171  -2.245
  169   1HD   PRO  28          2HD       PRO  28   1.868   8.040  -4.094
  170   2HD   PRO  28          1HD       PRO  28   1.657   8.374  -2.361
  171    H    VAL  29           H        VAL  29   4.077   4.939  -3.669
  172    HA   VAL  29           HA       VAL  29   3.866   4.088  -6.439
  173    HB   VAL  29           HB       VAL  29   6.336   4.187  -6.451
  174   1HG1  VAL  29          1HG1      VAL  29   6.414   6.465  -6.666
  175   2HG1  VAL  29          2HG1      VAL  29   5.468   6.747  -5.205
  176   3HG1  VAL  29          3HG1      VAL  29   4.669   6.209  -6.682
  177   1HG2  VAL  29          1HG2      VAL  29   6.719   5.599  -3.984
  178   2HG2  VAL  29          2HG2      VAL  29   7.543   4.161  -4.585
  179   3HG2  VAL  29          3HG2      VAL  29   6.048   4.000  -3.661
  Start of MODEL    2
    1   1H    CYS   1           H        CYS   1   3.101   2.148  -3.825
    2    HA   CYS   1           HA       CYS   1   4.944  -0.053  -3.832
    3   1HB   CYS   1          2HB       CYS   1   2.261   0.371  -2.517
    4   2HB   CYS   1          1HB       CYS   1   3.184  -1.112  -2.360
    5    H    GLY   2           H        GLY   2   1.995   0.835  -5.407
    6   1HA   GLY   2          2HA       GLY   2   0.806  -0.153  -7.104
    7   2HA   GLY   2          1HA       GLY   2   2.190  -1.213  -7.346
    8    H    GLU   3           H        GLU   3   0.337  -0.884  -4.377
    9    HA   GLU   3           HA       GLU   3  -1.058  -3.381  -4.833
   10   1HB   GLU   3          2HB       GLU   3   1.100  -4.123  -3.958
   11   2HB   GLU   3          1HB       GLU   3   0.944  -3.030  -2.592
   12   1HG   GLU   3          2HG       GLU   3   0.460  -5.336  -1.976
   13   2HG   GLU   3          1HG       GLU   3  -0.942  -4.292  -1.756
   14    H    THR   4           H        THR   4  -2.856  -3.611  -3.588
   15    HA   THR   4           HA       THR   4  -3.633  -1.239  -2.036
   16    HB   THR   4           HB       THR   4  -5.953  -2.156  -2.247
   17    HG1  THR   4           1HG      THR   4  -4.541  -4.208  -3.444
   18   1HG2  THR   4          1HG2      THR   4  -4.884  -0.455  -3.815
   19   2HG2  THR   4          2HG2      THR   4  -6.305  -1.308  -4.421
   20   3HG2  THR   4          3HG2      THR   4  -4.694  -1.787  -4.956
   21    H    CYS   5           H        CYS   5  -4.564  -1.479   0.044
   22    HA   CYS   5           HA       CYS   5  -4.117  -4.123   1.231
   23   1HB   CYS   5          2HB       CYS   5  -3.339  -3.081   3.293
   24   2HB   CYS   5          1HB       CYS   5  -2.326  -2.620   1.933
   25    H    PHE   6           H        PHE   6  -6.529  -3.848   0.370
   26    HA   PHE   6           HA       PHE   6  -8.434  -2.462   1.853
   27   1HB   PHE   6          2HB       PHE   6  -8.572  -5.081   0.368
   28   2HB   PHE   6          1HB       PHE   6  -9.976  -4.422   1.198
   29    HD1  PHE   6           1HD      PHE   6  -7.317  -2.921  -0.968
   30    HD2  PHE   6           2HD      PHE   6 -11.471  -3.553  -0.290
   31    HE1  PHE   6           1HE      PHE   6  -7.844  -1.539  -2.935
   32    HE2  PHE   6           2HE      PHE   6 -12.004  -2.175  -2.256
   33    HZ   PHE   6           HZ       PHE   6 -10.191  -1.166  -3.581
   34    H    GLY   7           H        GLY   7  -6.704  -5.390   2.538
   35   1HA   GLY   7          2HA       GLY   7  -7.816  -5.372   5.261
   36   2HA   GLY   7          1HA       GLY   7  -7.699  -6.885   4.365
   37    H    GLY   8           H        GLY   8  -5.448  -4.158   4.447
   38   1HA   GLY   8          2HA       GLY   8  -3.241  -4.008   5.087
   39   2HA   GLY   8          1HA       GLY   8  -3.563  -5.313   6.220
   40    H    THR   9           H        THR   9  -3.989  -5.527   2.756
   41    HA   THR   9           HA       THR   9  -2.208  -7.800   2.653
   42    HB   THR   9           HB       THR   9  -3.079  -7.801   0.216
   43    HG1  THR   9           1HG      THR   9  -4.044  -5.885  -0.075
   44   1HG2  THR   9          1HG2      THR   9  -3.821  -9.354   1.991
   45   2HG2  THR   9          2HG2      THR   9  -5.131  -8.917   0.895
   46   3HG2  THR   9          3HG2      THR   9  -5.033  -8.174   2.491
   47    H    CYS  10           H        CYS  10  -0.582  -5.646   3.091
   48    HA   CYS  10           HA       CYS  10   0.311  -4.589   0.551
   49   1HB   CYS  10          2HB       CYS  10   1.486  -4.305   3.313
   50   2HB   CYS  10          1HB       CYS  10   2.119  -3.516   1.880
   51    H    ASN  11           H        ASN  11   1.027  -6.228  -0.677
   52    HA   ASN  11           HA       ASN  11   2.750  -8.291   0.233
   53   1HB   ASN  11          2HB       ASN  11   1.879  -7.335  -2.477
   54   2HB   ASN  11          1HB       ASN  11   3.178  -8.516  -2.336
   55   1HD2  ASN  11          1HD2      ASN  11  -0.066  -8.168  -2.752
   56   2HD2  ASN  11          2HD2      ASN  11  -0.579  -9.724  -2.181
   57    H    THR  12           H        THR  12   3.262  -5.158  -1.266
   58    HA   THR  12           HA       THR  12   6.044  -5.455  -1.722
   59    HB   THR  12           HB       THR  12   4.707  -2.811  -1.234
   60    HG1  THR  12           1HG      THR  12   4.365  -3.268  -3.748
   61   1HG2  THR  12          1HG2      THR  12   7.202  -3.660  -2.270
   62   2HG2  THR  12          2HG2      THR  12   6.573  -2.015  -2.166
   63   3HG2  THR  12          3HG2      THR  12   6.283  -2.981  -3.614
   64    HA   PRO  13           HA       PRO  13   7.299  -5.299   2.548
   65   1HB   PRO  13          2HB       PRO  13   9.956  -4.691   1.406
   66   2HB   PRO  13          1HB       PRO  13   9.458  -6.016   2.461
   67   1HG   PRO  13          2HG       PRO  13   9.990  -6.433  -0.123
   68   2HG   PRO  13          1HG       PRO  13   8.680  -7.302   0.699
   69   1HD   PRO  13          2HD       PRO  13   8.531  -4.951  -1.152
   70   2HD   PRO  13          1HD       PRO  13   7.481  -6.381  -1.059
   71    H    GLY  14           H        GLY  14   7.405  -3.810   4.030
   72   1HA   GLY  14          2HA       GLY  14   7.798  -1.832   5.117
   73   2HA   GLY  14          1HA       GLY  14   8.844  -1.370   3.786
   74    H    CYS  15           H        CYS  15   5.578  -2.237   3.043
   75    HA   CYS  15           HA       CYS  15   5.096   0.541   2.310
   76   1HB   CYS  15          2HB       CYS  15   3.681  -2.032   1.631
   77   2HB   CYS  15          1HB       CYS  15   2.999  -0.453   1.245
   78    H    SER  16           H        SER  16   3.857   1.871   3.403
   79    HA   SER  16           HA       SER  16   2.554   0.978   5.819
   80   1HB   SER  16          2HB       SER  16   3.771   3.179   5.631
   81   2HB   SER  16          1HB       SER  16   2.508   3.725   4.530
   82    HG   SER  16           HG       SER  16   2.504   3.787   7.174
   83    H    CYS  17           H        CYS  17   0.415   0.514   5.999
   84    HA   CYS  17           HA       CYS  17  -1.097   0.394   3.579
   85   1HB   CYS  17          2HB       CYS  17  -1.314  -1.416   5.169
   86   2HB   CYS  17          1HB       CYS  17  -1.868  -0.304   6.416
   87    H    THR  18           H        THR  18  -1.397   2.509   2.942
   88    HA   THR  18           HA       THR  18  -2.926   4.296   4.651
   89    HB   THR  18           HB       THR  18  -2.112   4.736   1.765
   90    HG1  THR  18           1HG      THR  18  -0.624   4.727   4.079
   91   1HG2  THR  18          1HG2      THR  18  -3.844   6.186   3.249
   92   2HG2  THR  18          2HG2      THR  18  -2.807   6.886   2.005
   93   3HG2  THR  18          3HG2      THR  18  -2.326   6.961   3.700
   94    H    TRP  19           H        TRP  19  -4.436   2.473   4.698
   95    HA   TRP  19           HA       TRP  19  -5.926   1.188   3.036
   96   1HB   TRP  19          2HB       TRP  19  -6.305   1.610   5.545
   97   2HB   TRP  19          1HB       TRP  19  -7.421   2.868   5.025
   98    HD1  TRP  19           HD       TRP  19  -6.909  -0.939   4.431
   99    HE1  TRP  19           1HE      TRP  19  -9.233  -2.026   4.215
  100    HE3  TRP  19           3HE      TRP  19  -9.802   3.268   4.762
  101    HZ2  TRP  19           2HZ      TRP  19 -11.934  -1.202   4.183
  102    HZ3  TRP  19           3HZ      TRP  19 -12.247   3.029   4.627
  103    HH2  TRP  19           HH       TRP  19 -13.289   0.840   4.343
  104    HA   PRO  20           HA       PRO  20  -6.839   0.405   1.951
  105   1HB   PRO  20          2HB       PRO  20  -8.100  -0.250  -0.304
  106   2HB   PRO  20          1HB       PRO  20  -9.002   0.238   1.135
  107   1HG   PRO  20          2HG       PRO  20  -8.558   1.708  -1.387
  108   2HG   PRO  20          1HG       PRO  20  -9.847   1.897  -0.189
  109   1HD   PRO  20          2HD       PRO  20  -7.397   3.429  -0.473
  110   2HD   PRO  20          1HD       PRO  20  -8.756   3.708   0.636
  111    H    ILE  21           H        ILE  21  -4.847   2.403   0.789
  112    HA   ILE  21           HA       ILE  21  -3.726   0.587  -1.256
  113    HB   ILE  21           HB       ILE  21  -3.606   3.609  -1.332
  114   1HG1  ILE  21          2HG1      ILE  21  -5.026   1.657  -3.161
  115   2HG1  ILE  21          1HG1      ILE  21  -5.813   2.670  -1.956
  116   1HG2  ILE  21          1HG2      ILE  21  -2.405   1.507  -3.123
  117   2HG2  ILE  21          2HG2      ILE  21  -1.567   2.769  -2.217
  118   3HG2  ILE  21          3HG2      ILE  21  -2.582   3.198  -3.595
  119   1HD1  ILE  21          1HD1      ILE  21  -5.772   3.382  -4.453
  120   2HD1  ILE  21          2HD1      ILE  21  -4.142   3.940  -4.070
  121   3HD1  ILE  21          3HD1      ILE  21  -5.526   4.585  -3.187
  122    H    CYS  22           H        CYS  22  -1.623   0.037  -1.008
  123    HA   CYS  22           HA       CYS  22  -0.292   0.830   1.411
  124   1HB   CYS  22          2HB       CYS  22   0.733  -0.877  -0.862
  125   2HB   CYS  22          1HB       CYS  22   1.421  -0.770   0.757
  126    H    THR  23           H        THR  23   1.334   2.262   1.677
  127    HA   THR  23           HA       THR  23   2.399   3.554  -0.761
  128    HB   THR  23           HB       THR  23   2.645   5.630   0.608
  129    HG1  THR  23           1HG      THR  23   0.763   5.035   2.454
  130   1HG2  THR  23          1HG2      THR  23   0.379   6.336   0.369
  131   2HG2  THR  23          2HG2      THR  23  -0.221   4.684   0.513
  132   3HG2  THR  23          3HG2      THR  23   0.686   5.170  -0.918
  133    H    ARG  24           H        ARG  24   4.535   3.967  -0.891
  134    HA   ARG  24           HA       ARG  24   6.270   2.779   1.138
  135   1HB   ARG  24          2HB       ARG  24   6.577   3.511  -1.734
  136   2HB   ARG  24          1HB       ARG  24   8.001   3.669  -0.720
  137   1HG   ARG  24          2HG       ARG  24   6.407   1.174  -1.237
  138   2HG   ARG  24          1HG       ARG  24   8.038   1.540  -1.798
  139   1HD   ARG  24          2HD       ARG  24   7.094   0.874   0.968
  140   2HD   ARG  24          1HD       ARG  24   8.367   0.112   0.018
  141    HE   ARG  24           HE       ARG  24   8.899   2.871   0.698
  142   1HH1  ARG  24          1HH1      ARG  24   9.266  -0.479   1.657
  143   2HH1  ARG  24          2HH1      ARG  24  10.474  -0.131   2.849
  144   1HH2  ARG  24          1HH2      ARG  24  10.448   3.348   2.270
  145   2HH2  ARG  24          2HH2      ARG  24  11.156   2.059   3.203
  146    H    ASP  25           H        ASP  25   6.594   4.142   2.746
  147    HA   ASP  25           HA       ASP  25   7.080   6.002   3.938
  148   1HB   ASP  25          2HB       ASP  25   8.561   7.029   1.516
  149   2HB   ASP  25          1HB       ASP  25   8.920   7.322   3.212
  150    H    GLY  26           H        GLY  26   4.645   5.990   2.464
  151   1HA   GLY  26          2HA       GLY  26   2.966   7.668   2.602
  152   2HA   GLY  26          1HA       GLY  26   4.204   8.886   2.357
  153    H    LEU  27           H        LEU  27   5.171   6.984   0.051
  154    HA   LEU  27           HA       LEU  27   3.443   8.251  -1.929
  155   1HB   LEU  27          2HB       LEU  27   6.119   6.889  -2.169
  156   2HB   LEU  27          1HB       LEU  27   5.208   7.482  -3.546
  157    HG   LEU  27           HG       LEU  27   6.143   9.221  -1.274
  158   1HD1  LEU  27          1HD1      LEU  27   7.636  10.038  -3.317
  159   2HD1  LEU  27          2HD1      LEU  27   7.468   8.343  -3.774
  160   3HD1  LEU  27          3HD1      LEU  27   8.164   8.771  -2.212
  161   1HD2  LEU  27          1HD2      LEU  27   4.144   9.965  -2.583
  162   2HD2  LEU  27          2HD2      LEU  27   5.173   9.999  -4.015
  163   3HD2  LEU  27          3HD2      LEU  27   5.524  11.062  -2.651
  164    HA   PRO  28           HA       PRO  28   1.362   4.353  -2.544
  165   1HB   PRO  28          2HB       PRO  28  -0.137   5.112  -4.675
  166   2HB   PRO  28          1HB       PRO  28  -0.508   5.596  -3.016
  167   1HG   PRO  28          2HG       PRO  28   0.899   7.133  -5.168
  168   2HG   PRO  28          1HG       PRO  28  -0.342   7.686  -4.027
  169   1HD   PRO  28          2HD       PRO  28   2.299   8.185  -3.665
  170   2HD   PRO  28          1HD       PRO  28   1.175   7.949  -2.311
  171    H    VAL  29           H        VAL  29   4.037   4.682  -3.664
  172    HA   VAL  29           HA       VAL  29   3.816   3.694  -6.395
  173    HB   VAL  29           HB       VAL  29   6.292   3.766  -6.402
  174   1HG1  VAL  29          1HG1      VAL  29   6.136   6.417  -5.594
  175   2HG1  VAL  29          2HG1      VAL  29   4.494   6.011  -6.091
  176   3HG1  VAL  29          3HG1      VAL  29   5.836   5.787  -7.214
  177   1HG2  VAL  29          1HG2      VAL  29   7.382   4.976  -4.471
  178   2HG2  VAL  29          2HG2      VAL  29   6.860   3.325  -4.141
  179   3HG2  VAL  29          3HG2      VAL  29   5.901   4.686  -3.561
  Start of MODEL    3
    1   1H    CYS   1           H        CYS   1   3.309   2.095  -3.766
    2    HA   CYS   1           HA       CYS   1   5.005  -0.199  -4.069
    3   1HB   CYS   1          2HB       CYS   1   2.334   0.012  -2.669
    4   2HB   CYS   1          1HB       CYS   1   3.558  -1.224  -2.432
    5    H    GLY   2           H        GLY   2   2.058   0.989  -5.426
    6   1HA   GLY   2          2HA       GLY   2   0.727   0.211  -7.125
    7   2HA   GLY   2          1HA       GLY   2   2.031  -0.901  -7.517
    8    H    GLU   3           H        GLU   3   0.269  -0.735  -4.472
    9    HA   GLU   3           HA       GLU   3  -1.279  -3.095  -5.121
   10   1HB   GLU   3          2HB       GLU   3   0.838  -4.049  -4.326
   11   2HB   GLU   3          1HB       GLU   3   0.731  -3.088  -2.858
   12   1HG   GLU   3          2HG       GLU   3   0.075  -5.418  -2.497
   13   2HG   GLU   3          1HG       GLU   3  -1.244  -4.295  -2.163
   14    H    THR   4           H        THR   4  -2.986  -3.465  -3.706
   15    HA   THR   4           HA       THR   4  -3.674  -1.138  -2.040
   16    HB   THR   4           HB       THR   4  -6.017  -1.947  -2.265
   17    HG1  THR   4           1HG      THR   4  -4.706  -4.028  -3.530
   18   1HG2  THR   4          1HG2      THR   4  -5.793  -0.271  -3.771
   19   2HG2  THR   4          2HG2      THR   4  -5.925  -1.582  -4.942
   20   3HG2  THR   4          3HG2      THR   4  -4.338  -0.965  -4.485
   21    H    CYS   5           H        CYS   5  -4.540  -1.472   0.040
   22    HA   CYS   5           HA       CYS   5  -4.097  -4.174   1.094
   23   1HB   CYS   5          2HB       CYS   5  -3.437  -3.201   3.225
   24   2HB   CYS   5          1HB       CYS   5  -2.400  -2.625   1.928
   25    H    PHE   6           H        PHE   6  -6.456  -3.864   0.077
   26    HA   PHE   6           HA       PHE   6  -8.484  -2.678   1.569
   27   1HB   PHE   6          2HB       PHE   6  -8.436  -5.072  -0.247
   28   2HB   PHE   6          1HB       PHE   6  -9.907  -4.636   0.613
   29    HD1  PHE   6           1HD      PHE   6 -11.420  -3.591  -0.728
   30    HD2  PHE   6           2HD      PHE   6  -7.289  -2.727  -1.261
   31    HE1  PHE   6           1HE      PHE   6 -11.989  -1.985  -2.499
   32    HE2  PHE   6           2HE      PHE   6  -7.850  -1.116  -3.033
   33    HZ   PHE   6           HZ       PHE   6 -10.204  -0.744  -3.655
   34    H    GLY   7           H        GLY   7  -6.818  -5.736   2.027
   35   1HA   GLY   7          2HA       GLY   7  -8.508  -6.283   4.371
   36   2HA   GLY   7          1HA       GLY   7  -7.499  -7.465   3.547
   37    H    GLY   8           H        GLY   8  -6.152  -4.342   4.069
   38   1HA   GLY   8          2HA       GLY   8  -4.530  -3.569   5.499
   39   2HA   GLY   8          1HA       GLY   8  -5.081  -4.763   6.665
   40    H    THR   9           H        THR   9  -3.691  -5.133   3.422
   41    HA   THR   9           HA       THR   9  -1.287  -6.271   4.564
   42    HB   THR   9           HB       THR   9  -2.774  -8.209   4.449
   43    HG1  THR   9           1HG      THR   9  -1.127  -9.355   3.798
   44   1HG2  THR   9          1HG2      THR   9  -4.318  -7.594   2.735
   45   2HG2  THR   9          2HG2      THR   9  -3.481  -9.047   2.189
   46   3HG2  THR   9          3HG2      THR   9  -3.031  -7.472   1.536
   47    H    CYS  10           H        CYS  10   0.476  -6.112   3.231
   48    HA   CYS  10           HA       CYS  10   0.032  -5.038   0.530
   49   1HB   CYS  10          2HB       CYS  10   2.074  -4.062   2.540
   50   2HB   CYS  10          1HB       CYS  10   1.937  -3.507   0.876
   51    H    ASN  11           H        ASN  11   1.216  -5.990  -1.028
   52    HA   ASN  11           HA       ASN  11   2.819  -8.262  -0.377
   53   1HB   ASN  11          2HB       ASN  11   2.934  -8.680  -2.691
   54   2HB   ASN  11          1HB       ASN  11   1.367  -7.910  -2.475
   55   1HD2  ASN  11          1HD2      ASN  11   3.600  -8.085  -4.639
   56   2HD2  ASN  11          2HD2      ASN  11   3.670  -6.463  -5.227
   57    H    THR  12           H        THR  12   3.458  -4.936  -1.234
   58    HA   THR  12           HA       THR  12   6.273  -5.332  -1.662
   59    HB   THR  12           HB       THR  12   4.963  -2.674  -1.144
   60    HG1  THR  12           1HG      THR  12   4.157  -4.377  -2.988
   61   1HG2  THR  12          1HG2      THR  12   6.674  -2.271  -3.162
   62   2HG2  THR  12          2HG2      THR  12   7.455  -3.664  -2.415
   63   3HG2  THR  12          3HG2      THR  12   7.170  -2.201  -1.471
   64    HA   PRO  13           HA       PRO  13   7.259  -5.263   2.693
   65   1HB   PRO  13          2HB       PRO  13  10.030  -4.926   1.771
   66   2HB   PRO  13          1HB       PRO  13   9.310  -6.244   2.698
   67   1HG   PRO  13          2HG       PRO  13  10.057  -6.552   0.134
   68   2HG   PRO  13          1HG       PRO  13   8.645  -7.388   0.809
   69   1HD   PRO  13          2HD       PRO  13   8.758  -4.939  -0.913
   70   2HD   PRO  13          1HD       PRO  13   7.636  -6.315  -0.981
   71    H    GLY  14           H        GLY  14   7.441  -3.648   4.132
   72   1HA   GLY  14          2HA       GLY  14   8.230  -1.658   5.060
   73   2HA   GLY  14          1HA       GLY  14   9.000  -1.277   3.530
   74    H    CYS  15           H        CYS  15   6.022  -2.054   2.572
   75    HA   CYS  15           HA       CYS  15   5.257   0.706   2.335
   76   1HB   CYS  15          2HB       CYS  15   4.018  -1.857   1.354
   77   2HB   CYS  15          1HB       CYS  15   3.261  -0.284   1.112
   78    H    SER  16           H        SER  16   3.849   1.804   3.477
   79    HA   SER  16           HA       SER  16   2.590   0.575   5.773
   80   1HB   SER  16          2HB       SER  16   3.693   2.824   5.893
   81   2HB   SER  16          1HB       SER  16   2.455   3.446   4.803
   82    HG   SER  16           HG       SER  16   2.269   3.483   7.323
   83    H    CYS  17           H        CYS  17   0.400   0.255   6.003
   84    HA   CYS  17           HA       CYS  17  -1.089   0.203   3.541
   85   1HB   CYS  17          2HB       CYS  17  -1.345  -1.726   4.920
   86   2HB   CYS  17          1HB       CYS  17  -1.740  -0.746   6.330
   87    H    THR  18           H        THR  18  -1.516   2.306   2.997
   88    HA   THR  18           HA       THR  18  -3.020   3.971   4.859
   89    HB   THR  18           HB       THR  18  -2.261   4.621   1.998
   90    HG1  THR  18           1HG      THR  18  -0.726   4.468   4.263
   91   1HG2  THR  18          1HG2      THR  18  -2.898   6.427   4.338
   92   2HG2  THR  18          2HG2      THR  18  -4.029   6.016   3.049
   93   3HG2  THR  18          3HG2      THR  18  -2.566   6.929   2.680
   94    H    TRP  19           H        TRP  19  -4.515   2.129   4.804
   95    HA   TRP  19           HA       TRP  19  -6.007   0.953   3.055
   96   1HB   TRP  19          2HB       TRP  19  -6.379   1.153   5.587
   97   2HB   TRP  19          1HB       TRP  19  -7.490   2.460   5.190
   98    HD1  TRP  19           HD       TRP  19  -7.004  -1.269   4.219
   99    HE1  TRP  19           1HE      TRP  19  -9.334  -2.327   3.928
  100    HE3  TRP  19           3HE      TRP  19  -9.877   2.883   5.020
  101    HZ2  TRP  19           2HZ      TRP  19 -12.031  -1.500   4.018
  102    HZ3  TRP  19           3HZ      TRP  19 -12.325   2.665   4.894
  103    HH2  TRP  19           HH       TRP  19 -13.378   0.518   4.404
  104    HA   PRO  20           HA       PRO  20  -6.878   0.259   1.903
  105   1HB   PRO  20          2HB       PRO  20  -8.145  -0.231  -0.392
  106   2HB   PRO  20          1HB       PRO  20  -9.044   0.117   1.090
  107   1HG   PRO  20          2HG       PRO  20  -8.659   1.797  -1.306
  108   2HG   PRO  20          1HG       PRO  20  -9.934   1.866  -0.079
  109   1HD   PRO  20          2HD       PRO  20  -7.504   3.452  -0.265
  110   2HD   PRO  20          1HD       PRO  20  -8.862   3.629   0.868
  111    H    ILE  21           H        ILE  21  -4.988   2.449   0.844
  112    HA   ILE  21           HA       ILE  21  -3.839   0.839  -1.356
  113    HB   ILE  21           HB       ILE  21  -3.723   3.851  -1.103
  114   1HG1  ILE  21          2HG1      ILE  21  -5.199   2.129  -3.109
  115   2HG1  ILE  21          1HG1      ILE  21  -5.954   2.980  -1.766
  116   1HG2  ILE  21          1HG2      ILE  21  -1.790   2.441  -2.194
  117   2HG2  ILE  21          2HG2      ILE  21  -2.364   3.928  -2.949
  118   3HG2  ILE  21          3HG2      ILE  21  -2.912   2.363  -3.553
  119   1HD1  ILE  21          1HD1      ILE  21  -5.622   5.058  -2.738
  120   2HD1  ILE  21          2HD1      ILE  21  -6.040   4.026  -4.107
  121   3HD1  ILE  21          3HD1      ILE  21  -4.356   4.462  -3.813
  122    H    CYS  22           H        CYS  22  -1.738   0.263  -1.160
  123    HA   CYS  22           HA       CYS  22  -0.394   0.845   1.317
  124   1HB   CYS  22          2HB       CYS  22   0.544  -0.719  -1.094
  125   2HB   CYS  22          1HB       CYS  22   1.333  -0.689   0.480
  126    H    THR  23           H        THR  23   1.267   2.205   1.689
  127    HA   THR  23           HA       THR  23   2.411   3.638  -0.640
  128    HB   THR  23           HB       THR  23   2.674   5.615   0.937
  129    HG1  THR  23           1HG      THR  23   0.558   4.957   2.506
  130   1HG2  THR  23          1HG2      THR  23   1.019   5.971  -0.652
  131   2HG2  THR  23          2HG2      THR  23   0.103   6.126   0.846
  132   3HG2  THR  23          3HG2      THR  23   0.029   4.628  -0.082
  133    H    ARG  24           H        ARG  24   4.559   3.805  -0.712
  134    HA   ARG  24           HA       ARG  24   6.080   2.916   1.647
  135   1HB   ARG  24          2HB       ARG  24   6.324   1.769  -0.738
  136   2HB   ARG  24          1HB       ARG  24   7.341   3.169  -1.058
  137   1HG   ARG  24          2HG       ARG  24   8.369   2.402   1.297
  138   2HG   ARG  24          1HG       ARG  24   7.814   0.841   0.690
  139   1HD   ARG  24          2HD       ARG  24  10.004   1.019  -0.099
  140   2HD   ARG  24          1HD       ARG  24   9.006   1.473  -1.483
  141    HE   ARG  24           HE       ARG  24   9.861   3.691   0.174
  142   1HH1  ARG  24          1HH1      ARG  24  10.618   1.667  -2.587
  143   2HH1  ARG  24          2HH1      ARG  24  11.721   2.804  -3.283
  144   1HH2  ARG  24          1HH2      ARG  24  11.304   5.194  -0.719
  145   2HH2  ARG  24          2HH2      ARG  24  12.113   4.823  -2.219
  146    H    ASP  25           H        ASP  25   7.048   4.495   2.683
  147    HA   ASP  25           HA       ASP  25   7.933   6.502   3.231
  148   1HB   ASP  25          2HB       ASP  25   8.397   7.036   0.290
  149   2HB   ASP  25          1HB       ASP  25   9.238   7.759   1.649
  150    H    GLY  26           H        GLY  26   5.129   6.090   2.416
  151   1HA   GLY  26          2HA       GLY  26   3.287   7.500   2.643
  152   2HA   GLY  26          1HA       GLY  26   4.352   8.883   2.435
  153    H    LEU  27           H        LEU  27   5.135   6.829   0.018
  154    HA   LEU  27           HA       LEU  27   3.327   8.185  -1.843
  155   1HB   LEU  27          2HB       LEU  27   6.050   6.962  -2.276
  156   2HB   LEU  27          1HB       LEU  27   5.046   7.598  -3.565
  157    HG   LEU  27           HG       LEU  27   5.994   9.266  -1.247
  158   1HD1  LEU  27          1HD1      LEU  27   7.189   9.438  -3.974
  159   2HD1  LEU  27          2HD1      LEU  27   7.774   8.216  -2.845
  160   3HD1  LEU  27          3HD1      LEU  27   7.862   9.925  -2.419
  161   1HD2  LEU  27          1HD2      LEU  27   3.989   9.753  -3.008
  162   2HD2  LEU  27          2HD2      LEU  27   5.363  10.473  -3.846
  163   3HD2  LEU  27          3HD2      LEU  27   4.949  11.003  -2.216
  164    HA   PRO  28           HA       PRO  28   1.477   4.196  -2.528
  165   1HB   PRO  28          2HB       PRO  28  -0.070   4.860  -4.645
  166   2HB   PRO  28          1HB       PRO  28  -0.446   5.378  -2.997
  167   1HG   PRO  28          2HG       PRO  28   0.891   6.903  -5.202
  168   2HG   PRO  28          1HG       PRO  28  -0.363   7.442  -4.071
  169   1HD   PRO  28          2HD       PRO  28   2.271   8.032  -3.743
  170   2HD   PRO  28          1HD       PRO  28   1.152   7.829  -2.381
  171    H    VAL  29           H        VAL  29   4.121   4.606  -3.581
  172    HA   VAL  29           HA       VAL  29   4.066   3.785  -6.356
  173    HB   VAL  29           HB       VAL  29   6.532   3.752  -6.182
  174   1HG1  VAL  29          1HG1      VAL  29   6.301   5.876  -6.786
  175   2HG1  VAL  29          2HG1      VAL  29   6.338   6.331  -5.083
  176   3HG1  VAL  29          3HG1      VAL  29   4.797   6.010  -5.876
  177   1HG2  VAL  29          1HG2      VAL  29   7.588   4.622  -4.116
  178   2HG2  VAL  29          2HG2      VAL  29   6.804   3.061  -3.883
  179   3HG2  VAL  29          3HG2      VAL  29   6.022   4.535  -3.312
  Start of MODEL    4
    1   1H    CYS   1           H        CYS   1   3.297   2.297  -3.921
    2    HA   CYS   1           HA       CYS   1   5.151   0.141  -4.313
    3   1HB   CYS   1          2HB       CYS   1   2.604   0.335  -2.691
    4   2HB   CYS   1          1HB       CYS   1   3.680  -1.051  -2.690
    5    H    GLY   2           H        GLY   2   2.095   1.133  -5.560
    6   1HA   GLY   2          2HA       GLY   2   0.771   0.278  -7.230
    7   2HA   GLY   2          1HA       GLY   2   2.110  -0.791  -7.630
    8    H    GLU   3           H        GLU   3   0.410  -0.604  -4.560
    9    HA   GLU   3           HA       GLU   3  -1.029  -3.069  -5.078
   10   1HB   GLU   3          2HB       GLU   3   1.092  -3.926  -4.326
   11   2HB   GLU   3          1HB       GLU   3   1.134  -2.790  -2.986
   12   1HG   GLU   3          2HG       GLU   3  -0.762  -3.924  -1.957
   13   2HG   GLU   3          1HG       GLU   3  -0.816  -5.059  -3.308
   14    H    THR   4           H        THR   4  -2.835  -3.284  -3.786
   15    HA   THR   4           HA       THR   4  -3.347  -1.028  -1.978
   16    HB   THR   4           HB       THR   4  -5.779  -1.599  -2.347
   17    HG1  THR   4           1HG      THR   4  -5.778  -2.643  -4.689
   18   1HG2  THR   4          1HG2      THR   4  -5.943  -0.277  -4.323
   19   2HG2  THR   4          2HG2      THR   4  -4.334  -0.758  -4.858
   20   3HG2  THR   4          3HG2      THR   4  -4.519   0.290  -3.450
   21    H    CYS   5           H        CYS   5  -4.213  -1.408   0.026
   22    HA   CYS   5           HA       CYS   5  -4.160  -4.203   0.904
   23   1HB   CYS   5          2HB       CYS   5  -3.583  -3.361   3.140
   24   2HB   CYS   5          1HB       CYS   5  -2.385  -2.918   1.931
   25    H    PHE   6           H        PHE   6  -6.422  -3.859  -0.120
   26    HA   PHE   6           HA       PHE   6  -8.431  -2.482   1.240
   27   1HB   PHE   6          2HB       PHE   6  -8.436  -4.904  -0.531
   28   2HB   PHE   6          1HB       PHE   6  -9.918  -4.413   0.284
   29    HD1  PHE   6           1HD      PHE   6 -11.338  -3.440  -1.217
   30    HD2  PHE   6           2HD      PHE   6  -7.196  -2.487  -1.410
   31    HE1  PHE   6           1HE      PHE   6 -11.798  -1.819  -3.009
   32    HE2  PHE   6           2HE      PHE   6  -7.649  -0.864  -3.201
   33    HZ   PHE   6           HZ       PHE   6  -9.952  -0.527  -4.003
   34    H    GLY   7           H        GLY   7  -6.899  -5.558   1.918
   35   1HA   GLY   7          2HA       GLY   7  -8.773  -6.018   4.134
   36   2HA   GLY   7          1HA       GLY   7  -7.662  -7.208   3.468
   37    H    GLY   8           H        GLY   8  -6.312  -4.114   3.843
   38   1HA   GLY   8          2HA       GLY   8  -4.841  -3.213   5.365
   39   2HA   GLY   8          1HA       GLY   8  -5.536  -4.277   6.579
   40    H    THR   9           H        THR   9  -3.891  -5.068   3.541
   41    HA   THR   9           HA       THR   9  -1.592  -6.032   4.991
   42    HB   THR   9           HB       THR   9  -3.139  -7.946   5.098
   43    HG1  THR   9           1HG      THR   9  -1.452  -9.190   4.849
   44   1HG2  THR   9          1HG2      THR   9  -4.539  -8.112   3.335
   45   2HG2  THR   9          2HG2      THR   9  -3.242  -9.089   2.647
   46   3HG2  THR   9          3HG2      THR   9  -3.386  -7.385   2.216
   47    H    CYS  10           H        CYS  10   0.251  -6.150   3.743
   48    HA   CYS  10           HA       CYS  10  -0.014  -5.595   0.873
   49   1HB   CYS  10          2HB       CYS  10   1.930  -4.165   2.702
   50   2HB   CYS  10          1HB       CYS  10   1.730  -3.905   0.973
   51    H    ASN  11           H        ASN  11   1.312  -6.781  -0.353
   52    HA   ASN  11           HA       ASN  11   3.086  -8.681   0.929
   53   1HB   ASN  11          2HB       ASN  11   1.715  -9.483  -0.896
   54   2HB   ASN  11          1HB       ASN  11   2.314  -8.217  -1.961
   55   1HD2  ASN  11          1HD2      ASN  11   3.824  -8.796  -3.320
   56   2HD2  ASN  11          2HD2      ASN  11   4.913 -10.125  -3.134
   57    H    THR  12           H        THR  12   3.251  -5.760  -0.977
   58    HA   THR  12           HA       THR  12   5.994  -5.883  -1.660
   59    HB   THR  12           HB       THR  12   4.444  -3.331  -1.254
   60    HG1  THR  12           1HG      THR  12   3.089  -4.584  -2.499
   61   1HG2  THR  12          1HG2      THR  12   5.843  -3.073  -3.558
   62   2HG2  THR  12          2HG2      THR  12   6.903  -4.157  -2.659
   63   3HG2  THR  12          3HG2      THR  12   6.460  -2.592  -1.978
   64    HA   PRO  13           HA       PRO  13   7.623  -5.208   2.443
   65   1HB   PRO  13          2HB       PRO  13  10.173  -4.865   1.002
   66   2HB   PRO  13          1HB       PRO  13   9.732  -6.041   2.243
   67   1HG   PRO  13          2HG       PRO  13  10.041  -6.760  -0.321
   68   2HG   PRO  13          1HG       PRO  13   8.812  -7.509   0.716
   69   1HD   PRO  13          2HD       PRO  13   8.493  -5.385  -1.372
   70   2HD   PRO  13          1HD       PRO  13   7.458  -6.786  -1.021
   71    H    GLY  14           H        GLY  14   8.087  -3.492   3.650
   72   1HA   GLY  14          2HA       GLY  14   8.622  -1.349   4.265
   73   2HA   GLY  14          1HA       GLY  14   9.388  -1.148   2.699
   74    H    CYS  15           H        CYS  15   6.036  -2.089   2.903
   75    HA   CYS  15           HA       CYS  15   5.328   0.627   2.050
   76   1HB   CYS  15          2HB       CYS  15   4.195  -2.027   1.170
   77   2HB   CYS  15          1HB       CYS  15   3.429  -0.485   0.818
   78    H    SER  16           H        SER  16   4.067   1.691   3.365
   79    HA   SER  16           HA       SER  16   2.816   0.388   5.614
   80   1HB   SER  16          2HB       SER  16   3.960   2.606   5.805
   81   2HB   SER  16          1HB       SER  16   2.713   3.300   4.770
   82    HG   SER  16           HG       SER  16   2.579   3.243   7.289
   83    H    CYS  17           H        CYS  17   0.673  -0.037   5.833
   84    HA   CYS  17           HA       CYS  17  -0.916   0.054   3.457
   85   1HB   CYS  17          2HB       CYS  17  -1.155  -1.882   4.846
   86   2HB   CYS  17          1HB       CYS  17  -1.535  -0.899   6.256
   87    H    THR  18           H        THR  18  -1.232   2.207   2.996
   88    HA   THR  18           HA       THR  18  -2.671   3.862   4.909
   89    HB   THR  18           HB       THR  18  -1.933   4.549   2.052
   90    HG1  THR  18           1HG      THR  18  -0.375   4.298   4.304
   91   1HG2  THR  18          1HG2      THR  18  -1.963   6.885   3.032
   92   2HG2  THR  18          2HG2      THR  18  -2.708   6.183   4.468
   93   3HG2  THR  18          3HG2      THR  18  -3.534   6.092   2.913
   94    H    TRP  19           H        TRP  19  -4.228   2.077   4.844
   95    HA   TRP  19           HA       TRP  19  -5.780   0.979   3.095
   96   1HB   TRP  19          2HB       TRP  19  -6.112   1.100   5.621
   97   2HB   TRP  19          1HB       TRP  19  -7.150   2.488   5.309
   98    HD1  TRP  19           HD       TRP  19  -6.920  -1.200   4.097
   99    HE1  TRP  19           1HE      TRP  19  -9.317  -2.106   3.850
  100    HE3  TRP  19           3HE      TRP  19  -9.508   3.035   5.325
  101    HZ2  TRP  19           2HZ      TRP  19 -11.957  -1.143   4.133
  102    HZ3  TRP  19           3HZ      TRP  19 -11.967   2.959   5.309
  103    HH2  TRP  19           HH       TRP  19 -13.165   0.913   4.725
  104    HA   PRO  20           HA       PRO  20  -6.739   0.324   1.972
  105   1HB   PRO  20          2HB       PRO  20  -8.056  -0.089  -0.306
  106   2HB   PRO  20          1HB       PRO  20  -8.920   0.287   1.188
  107   1HG   PRO  20          2HG       PRO  20  -8.473   1.975  -1.194
  108   2HG   PRO  20          1HG       PRO  20  -9.748   2.075   0.029
  109   1HD   PRO  20          2HD       PRO  20  -7.280   3.584  -0.136
  110   2HD   PRO  20          1HD       PRO  20  -8.614   3.769   1.022
  111    H    ILE  21           H        ILE  21  -4.700   2.353   0.988
  112    HA   ILE  21           HA       ILE  21  -3.675   0.730  -1.261
  113    HB   ILE  21           HB       ILE  21  -3.417   3.734  -1.028
  114   1HG1  ILE  21          2HG1      ILE  21  -5.031   2.085  -2.989
  115   2HG1  ILE  21          1HG1      ILE  21  -5.705   2.988  -1.636
  116   1HG2  ILE  21          1HG2      ILE  21  -1.480   2.915  -2.104
  117   2HG2  ILE  21          2HG2      ILE  21  -2.544   3.479  -3.392
  118   3HG2  ILE  21          3HG2      ILE  21  -2.407   1.754  -3.054
  119   1HD1  ILE  21          1HD1      ILE  21  -4.545   3.986  -4.192
  120   2HD1  ILE  21          2HD1      ILE  21  -4.526   5.014  -2.759
  121   3HD1  ILE  21          3HD1      ILE  21  -6.059   4.416  -3.396
  122    H    CYS  22           H        CYS  22  -1.593   0.070  -1.085
  123    HA   CYS  22           HA       CYS  22  -0.170   0.651   1.348
  124   1HB   CYS  22          2HB       CYS  22   0.788  -0.915  -1.057
  125   2HB   CYS  22          1HB       CYS  22   1.443  -0.979   0.577
  126    H    THR  23           H        THR  23   1.350   2.177   1.640
  127    HA   THR  23           HA       THR  23   2.412   3.512  -0.779
  128    HB   THR  23           HB       THR  23   2.584   5.581   0.538
  129    HG1  THR  23           1HG      THR  23   0.911   4.856   2.564
  130   1HG2  THR  23          1HG2      THR  23   0.458   4.821  -0.747
  131   2HG2  THR  23          2HG2      THR  23   0.352   6.207   0.339
  132   3HG2  THR  23          3HG2      THR  23  -0.243   4.630   0.860
  133    H    ARG  24           H        ARG  24   4.510   4.167  -0.822
  134    HA   ARG  24           HA       ARG  24   6.330   2.806   1.011
  135   1HB   ARG  24          2HB       ARG  24   6.729   2.516  -1.395
  136   2HB   ARG  24          1HB       ARG  24   6.807   4.257  -1.609
  137   1HG   ARG  24          2HG       ARG  24   9.021   3.269  -1.639
  138   2HG   ARG  24          1HG       ARG  24   8.831   4.345  -0.253
  139   1HD   ARG  24          2HD       ARG  24  10.000   2.266   0.335
  140   2HD   ARG  24          1HD       ARG  24   8.484   2.450   1.212
  141    HE   ARG  24           HE       ARG  24   7.798   0.498   0.290
  142   1HH1  ARG  24          1HH1      ARG  24  10.270   1.823  -1.809
  143   2HH1  ARG  24          2HH1      ARG  24  10.244   0.480  -2.900
  144   1HH2  ARG  24          1HH2      ARG  24   7.772  -1.279  -1.134
  145   2HH2  ARG  24          2HH2      ARG  24   8.816  -1.290  -2.518
  146    H    ASP  25           H        ASP  25   5.812   4.195   2.745
  147    HA   ASP  25           HA       ASP  25   6.178   5.905   4.174
  148   1HB   ASP  25          2HB       ASP  25   8.563   5.629   3.289
  149   2HB   ASP  25          1HB       ASP  25   8.225   7.009   2.249
  150    H    GLY  26           H        GLY  26   4.006   6.141   2.688
  151   1HA   GLY  26          2HA       GLY  26   2.471   7.929   2.545
  152   2HA   GLY  26          1HA       GLY  26   3.816   9.033   2.320
  153    H    LEU  27           H        LEU  27   4.961   7.223   0.189
  154    HA   LEU  27           HA       LEU  27   3.340   8.326  -1.954
  155   1HB   LEU  27          2HB       LEU  27   6.051   7.019  -1.934
  156   2HB   LEU  27          1HB       LEU  27   5.237   7.526  -3.403
  157    HG   LEU  27           HG       LEU  27   5.933   9.390  -1.149
  158   1HD1  LEU  27          1HD1      LEU  27   8.040   9.285  -1.859
  159   2HD1  LEU  27          2HD1      LEU  27   7.489  10.004  -3.372
  160   3HD1  LEU  27          3HD1      LEU  27   7.593   8.250  -3.215
  161   1HD2  LEU  27          1HD2      LEU  27   5.135   9.959  -3.996
  162   2HD2  LEU  27          2HD2      LEU  27   5.444  11.143  -2.727
  163   3HD2  LEU  27          3HD2      LEU  27   4.054  10.064  -2.607
  164    HA   PRO  28           HA       PRO  28   1.434   4.312  -2.522
  165   1HB   PRO  28          2HB       PRO  28  -0.218   5.053  -4.532
  166   2HB   PRO  28          1HB       PRO  28  -0.527   5.474  -2.844
  167   1HG   PRO  28          2HG       PRO  28   0.670   7.143  -5.023
  168   2HG   PRO  28          1HG       PRO  28  -0.530   7.596  -3.799
  169   1HD   PRO  28          2HD       PRO  28   2.110   8.215  -3.582
  170   2HD   PRO  28          1HD       PRO  28   1.067   7.926  -2.175
  171    H    VAL  29           H        VAL  29   4.020   4.824  -3.681
  172    HA   VAL  29           HA       VAL  29   3.808   4.063  -6.480
  173    HB   VAL  29           HB       VAL  29   6.275   4.206  -6.500
  174   1HG1  VAL  29          1HG1      VAL  29   4.487   6.232  -6.501
  175   2HG1  VAL  29          2HG1      VAL  29   6.215   6.438  -6.791
  176   3HG1  VAL  29          3HG1      VAL  29   5.548   6.737  -5.186
  177   1HG2  VAL  29          1HG2      VAL  29   6.551   3.535  -4.094
  178   2HG2  VAL  29          2HG2      VAL  29   6.061   5.171  -3.653
  179   3HG2  VAL  29          3HG2      VAL  29   7.526   4.915  -4.599
  Start of MODEL    5
    1   1H    CYS   1           H        CYS   1   3.149   2.279  -4.100
    2    HA   CYS   1           HA       CYS   1   5.049   0.107  -4.207
    3   1HB   CYS   1          2HB       CYS   1   2.437   0.480  -2.740
    4   2HB   CYS   1          1HB       CYS   1   3.369  -1.006  -2.683
    5    H    GLY   2           H        GLY   2   2.034   1.053  -5.617
    6   1HA   GLY   2          2HA       GLY   2   0.794   0.138  -7.322
    7   2HA   GLY   2          1HA       GLY   2   2.157  -0.930  -7.635
    8    H    GLU   3           H        GLU   3   0.425  -0.700  -4.597
    9    HA   GLU   3           HA       GLU   3  -1.045  -3.151  -5.093
   10   1HB   GLU   3          2HB       GLU   3   1.065  -4.034  -4.338
   11   2HB   GLU   3          1HB       GLU   3   1.127  -2.889  -3.007
   12   1HG   GLU   3          2HG       GLU   3  -0.799  -3.988  -1.979
   13   2HG   GLU   3          1HG       GLU   3  -0.844  -5.143  -3.311
   14    H    THR   4           H        THR   4  -2.842  -3.344  -3.773
   15    HA   THR   4           HA       THR   4  -3.324  -1.059  -1.994
   16    HB   THR   4           HB       THR   4  -5.764  -1.608  -2.348
   17    HG1  THR   4           1HG      THR   4  -5.784  -2.675  -4.675
   18   1HG2  THR   4          1HG2      THR   4  -5.703  -0.634  -4.756
   19   2HG2  THR   4          2HG2      THR   4  -3.961  -0.549  -4.497
   20   3HG2  THR   4          3HG2      THR   4  -5.055   0.327  -3.427
   21    H    CYS   5           H        CYS   5  -4.210  -1.401   0.011
   22    HA   CYS   5           HA       CYS   5  -4.198  -4.184   0.933
   23   1HB   CYS   5          2HB       CYS   5  -3.595  -3.312   3.158
   24   2HB   CYS   5          1HB       CYS   5  -2.386  -2.941   1.938
   25    H    PHE   6           H        PHE   6  -6.454  -3.856  -0.059
   26    HA   PHE   6           HA       PHE   6  -8.435  -2.396   1.257
   27   1HB   PHE   6          2HB       PHE   6  -8.489  -4.899  -0.398
   28   2HB   PHE   6          1HB       PHE   6  -9.956  -4.341   0.397
   29    HD1  PHE   6           1HD      PHE   6 -11.361  -3.448  -1.171
   30    HD2  PHE   6           2HD      PHE   6  -7.213  -2.524  -1.377
   31    HE1  PHE   6           1HE      PHE   6 -11.801  -1.911  -3.040
   32    HE2  PHE   6           2HE      PHE   6  -7.646  -0.984  -3.245
   33    HZ   PHE   6           HZ       PHE   6  -9.942  -0.675  -4.079
   34    H    GLY   7           H        GLY   7  -6.986  -5.501   2.002
   35   1HA   GLY   7          2HA       GLY   7  -8.784  -5.794   4.308
   36   2HA   GLY   7          1HA       GLY   7  -7.766  -7.062   3.636
   37    H    GLY   8           H        GLY   8  -6.316  -3.972   3.909
   38   1HA   GLY   8          2HA       GLY   8  -4.717  -3.116   5.322
   39   2HA   GLY   8          1HA       GLY   8  -5.401  -4.123   6.593
   40    H    THR   9           H        THR   9  -3.954  -5.065   3.509
   41    HA   THR   9           HA       THR   9  -1.680  -6.214   4.918
   42    HB   THR   9           HB       THR   9  -2.406  -8.168   3.034
   43    HG1  THR   9           1HG      THR   9  -4.610  -7.520   4.732
   44   1HG2  THR   9          1HG2      THR   9  -1.601  -8.013   5.686
   45   2HG2  THR   9          2HG2      THR   9  -1.874  -9.488   4.759
   46   3HG2  THR   9          3HG2      THR   9  -3.167  -8.822   5.758
   47    H    CYS  10           H        CYS  10   0.179  -6.163   3.755
   48    HA   CYS  10           HA       CYS  10   0.012  -5.558   0.887
   49   1HB   CYS  10          2HB       CYS  10   1.902  -4.201   2.828
   50   2HB   CYS  10          1HB       CYS  10   1.807  -3.915   1.096
   51    H    ASN  11           H        ASN  11   1.305  -6.791  -0.315
   52    HA   ASN  11           HA       ASN  11   3.058  -8.700   1.001
   53   1HB   ASN  11          2HB       ASN  11   1.631  -9.509  -0.796
   54   2HB   ASN  11          1HB       ASN  11   2.284  -8.306  -1.902
   55   1HD2  ASN  11          1HD2      ASN  11   3.773  -9.000  -3.233
   56   2HD2  ASN  11          2HD2      ASN  11   4.811 -10.359  -2.989
   57    H    THR  12           H        THR  12   3.218  -5.826  -0.963
   58    HA   THR  12           HA       THR  12   5.944  -5.986  -1.701
   59    HB   THR  12           HB       THR  12   4.414  -3.417  -1.309
   60    HG1  THR  12           1HG      THR  12   3.033  -4.680  -2.509
   61   1HG2  THR  12          1HG2      THR  12   6.839  -3.350  -1.932
   62   2HG2  THR  12          2HG2      THR  12   5.769  -2.611  -3.122
   63   3HG2  THR  12          3HG2      THR  12   6.429  -4.221  -3.409
   64    HA   PRO  13           HA       PRO  13   7.686  -5.196   2.330
   65   1HB   PRO  13          2HB       PRO  13  10.272  -4.955   1.487
   66   2HB   PRO  13          1HB       PRO  13   9.460  -6.506   1.726
   67   1HG   PRO  13          2HG       PRO  13   9.927  -4.981  -0.804
   68   2HG   PRO  13          1HG       PRO  13  10.069  -6.723  -0.502
   69   1HD   PRO  13          2HD       PRO  13   7.918  -5.644  -1.727
   70   2HD   PRO  13          1HD       PRO  13   7.794  -7.067  -0.673
   71    H    GLY  14           H        GLY  14   8.166  -3.444   3.486
   72   1HA   GLY  14          2HA       GLY  14   8.712  -1.281   4.029
   73   2HA   GLY  14          1HA       GLY  14   9.410  -1.108   2.427
   74    H    CYS  15           H        CYS  15   6.089  -2.095   2.852
   75    HA   CYS  15           HA       CYS  15   5.273   0.563   1.921
   76   1HB   CYS  15          2HB       CYS  15   4.208  -2.158   1.183
   77   2HB   CYS  15          1HB       CYS  15   3.333  -0.671   0.849
   78    H    SER  16           H        SER  16   4.166   1.641   3.360
   79    HA   SER  16           HA       SER  16   2.904   0.344   5.606
   80   1HB   SER  16          2HB       SER  16   2.244   2.782   6.116
   81   2HB   SER  16          1HB       SER  16   3.966   2.401   6.132
   82    HG   SER  16           HG       SER  16   2.630   3.420   3.843
   83    H    CYS  17           H        CYS  17   0.768  -0.114   5.777
   84    HA   CYS  17           HA       CYS  17  -0.829   0.083   3.431
   85   1HB   CYS  17          2HB       CYS  17  -1.119  -1.857   4.803
   86   2HB   CYS  17          1HB       CYS  17  -1.473  -0.874   6.221
   87    H    THR  18           H        THR  18  -1.269   2.150   2.901
   88    HA   THR  18           HA       THR  18  -2.598   3.874   4.846
   89    HB   THR  18           HB       THR  18  -1.917   4.513   1.963
   90    HG1  THR  18           1HG      THR  18  -0.378   4.655   4.331
   91   1HG2  THR  18          1HG2      THR  18  -2.128   6.821   2.645
   92   2HG2  THR  18          2HG2      THR  18  -2.375   6.343   4.324
   93   3HG2  THR  18          3HG2      THR  18  -3.596   5.961   3.110
   94    H    TRP  19           H        TRP  19  -4.160   2.092   4.834
   95    HA   TRP  19           HA       TRP  19  -5.756   0.969   3.153
   96   1HB   TRP  19          2HB       TRP  19  -6.047   1.158   5.676
   97   2HB   TRP  19          1HB       TRP  19  -7.063   2.558   5.351
   98    HD1  TRP  19           HD       TRP  19  -6.935  -1.123   4.092
   99    HE1  TRP  19           1HE      TRP  19  -9.351  -2.002   3.968
  100    HE3  TRP  19           3HE      TRP  19  -9.402   3.098   5.590
  101    HZ2  TRP  19           2HZ      TRP  19 -11.959  -1.026   4.441
  102    HZ3  TRP  19           3HZ      TRP  19 -11.858   3.041   5.725
  103    HH2  TRP  19           HH       TRP  19 -13.108   1.021   5.161
  104    HA   PRO  20           HA       PRO  20  -6.687   0.301   2.024
  105   1HB   PRO  20          2HB       PRO  20  -8.031  -0.149  -0.235
  106   2HB   PRO  20          1HB       PRO  20  -8.877   0.234   1.269
  107   1HG   PRO  20          2HG       PRO  20  -8.496   1.895  -1.140
  108   2HG   PRO  20          1HG       PRO  20  -9.734   2.011   0.118
  109   1HD   PRO  20          2HD       PRO  20  -7.257   3.509  -0.137
  110   2HD   PRO  20          1HD       PRO  20  -8.575   3.735   1.032
  111    H    ILE  21           H        ILE  21  -4.654   2.300   1.010
  112    HA   ILE  21           HA       ILE  21  -3.664   0.672  -1.251
  113    HB   ILE  21           HB       ILE  21  -3.401   3.678  -1.024
  114   1HG1  ILE  21          2HG1      ILE  21  -5.019   2.024  -2.979
  115   2HG1  ILE  21          1HG1      ILE  21  -5.691   2.920  -1.620
  116   1HG2  ILE  21          1HG2      ILE  21  -1.956   3.657  -2.748
  117   2HG2  ILE  21          2HG2      ILE  21  -2.785   2.331  -3.562
  118   3HG2  ILE  21          3HG2      ILE  21  -1.664   1.993  -2.244
  119   1HD1  ILE  21          1HD1      ILE  21  -5.182   3.820  -4.247
  120   2HD1  ILE  21          2HD1      ILE  21  -4.105   4.699  -3.161
  121   3HD1  ILE  21          3HD1      ILE  21  -5.847   4.721  -2.884
  122    H    CYS  22           H        CYS  22  -1.576   0.009  -1.098
  123    HA   CYS  22           HA       CYS  22  -0.124   0.597   1.317
  124   1HB   CYS  22          2HB       CYS  22   0.789  -0.991  -1.092
  125   2HB   CYS  22          1HB       CYS  22   1.483  -1.037   0.527
  126    H    THR  23           H        THR  23   1.509   2.041   1.573
  127    HA   THR  23           HA       THR  23   2.570   3.339  -0.865
  128    HB   THR  23           HB       THR  23   2.612   5.485   0.333
  129    HG1  THR  23           1HG      THR  23   0.874   4.804   2.328
  130   1HG2  THR  23          1HG2      THR  23   0.051   4.032  -0.122
  131   2HG2  THR  23          2HG2      THR  23   0.701   5.454  -0.936
  132   3HG2  THR  23          3HG2      THR  23  -0.014   5.608   0.669
  133    H    ARG  24           H        ARG  24   4.633   4.283  -0.696
  134    HA   ARG  24           HA       ARG  24   6.437   2.925   1.156
  135   1HB   ARG  24          2HB       ARG  24   6.918   4.694  -1.258
  136   2HB   ARG  24          1HB       ARG  24   8.208   4.052  -0.253
  137   1HG   ARG  24          2HG       ARG  24   6.215   2.291  -1.640
  138   2HG   ARG  24          1HG       ARG  24   7.716   2.825  -2.401
  139   1HD   ARG  24          2HD       ARG  24   9.013   1.785  -0.638
  140   2HD   ARG  24          1HD       ARG  24   7.538   1.322   0.207
  141    HE   ARG  24           HE       ARG  24   7.425  -0.504  -1.128
  142   1HH1  ARG  24          1HH1      ARG  24   9.384   1.886  -2.782
  143   2HH1  ARG  24          2HH1      ARG  24   9.678   0.880  -4.159
  144   1HH2  ARG  24          1HH2      ARG  24   7.820  -1.835  -2.936
  145   2HH2  ARG  24          2HH2      ARG  24   8.786  -1.245  -4.247
  146    H    ASP  25           H        ASP  25   5.303   4.233   2.865
  147    HA   ASP  25           HA       ASP  25   5.362   5.844   4.457
  148   1HB   ASP  25          2HB       ASP  25   7.882   5.609   4.120
  149   2HB   ASP  25          1HB       ASP  25   7.780   7.028   3.087
  150    H    GLY  26           H        GLY  26   3.536   6.190   2.652
  151   1HA   GLY  26          2HA       GLY  26   2.097   8.054   2.310
  152   2HA   GLY  26          1HA       GLY  26   3.509   9.094   2.238
  153    H    LEU  27           H        LEU  27   4.918   7.268   0.376
  154    HA   LEU  27           HA       LEU  27   3.764   8.339  -2.041
  155   1HB   LEU  27          2HB       LEU  27   6.215   6.667  -1.538
  156   2HB   LEU  27          1HB       LEU  27   5.730   7.217  -3.131
  157    HG   LEU  27           HG       LEU  27   6.281   9.084  -0.844
  158   1HD1  LEU  27          1HD1      LEU  27   8.116   7.983  -2.951
  159   2HD1  LEU  27          2HD1      LEU  27   8.354   8.035  -1.205
  160   3HD1  LEU  27          3HD1      LEU  27   8.425   9.523  -2.149
  161   1HD2  LEU  27          1HD2      LEU  27   5.760  10.746  -2.237
  162   2HD2  LEU  27          2HD2      LEU  27   4.995   9.508  -3.233
  163   3HD2  LEU  27          3HD2      LEU  27   6.649  10.017  -3.574
  164    HA   PRO  28           HA       PRO  28   1.441   4.540  -2.691
  165   1HB   PRO  28          2HB       PRO  28   0.298   5.917  -4.987
  166   2HB   PRO  28          1HB       PRO  28  -0.490   5.410  -3.493
  167   1HG   PRO  28          2HG       PRO  28  -0.061   8.016  -4.124
  168   2HG   PRO  28          1HG       PRO  28  -0.110   7.421  -2.456
  169   1HD   PRO  28          2HD       PRO  28   2.264   8.057  -4.172
  170   2HD   PRO  28          1HD       PRO  28   1.993   8.413  -2.452
  171    H    VAL  29           H        VAL  29   4.136   4.791  -3.707
  172    HA   VAL  29           HA       VAL  29   3.903   3.949  -6.497
  173    HB   VAL  29           HB       VAL  29   6.382   4.053  -6.535
  174   1HG1  VAL  29          1HG1      VAL  29   6.021   6.118  -7.261
  175   2HG1  VAL  29          2HG1      VAL  29   6.063   6.701  -5.597
  176   3HG1  VAL  29          3HG1      VAL  29   4.532   6.207  -6.320
  177   1HG2  VAL  29          1HG2      VAL  29   5.959   4.624  -3.647
  178   2HG2  VAL  29          2HG2      VAL  29   7.273   5.456  -4.477
  179   3HG2  VAL  29          3HG2      VAL  29   7.228   3.694  -4.442
  Start of MODEL    6
    1   1H    CYS   1           H        CYS   1   3.298   2.478  -3.928
    2    HA   CYS   1           HA       CYS   1   5.053   0.224  -4.194
    3   1HB   CYS   1          2HB       CYS   1   2.580   0.756  -2.554
    4   2HB   CYS   1          1HB       CYS   1   3.350  -0.820  -2.588
    5    H    GLY   2           H        GLY   2   1.990   1.248  -5.450
    6   1HA   GLY   2          2HA       GLY   2   0.541   0.301  -6.966
    7   2HA   GLY   2          1HA       GLY   2   1.902  -0.694  -7.474
    8    H    GLU   3           H        GLU   3   0.466  -0.574  -4.285
    9    HA   GLU   3           HA       GLU   3  -0.688  -3.236  -4.643
   10   1HB   GLU   3          2HB       GLU   3   1.487  -3.666  -3.733
   11   2HB   GLU   3          1HB       GLU   3   1.308  -2.389  -2.544
   12   1HG   GLU   3          2HG       GLU   3   1.078  -4.490  -1.456
   13   2HG   GLU   3          1HG       GLU   3  -0.491  -3.691  -1.474
   14    H    THR   4           H        THR   4  -2.447  -3.664  -3.351
   15    HA   THR   4           HA       THR   4  -3.531  -1.336  -1.906
   16    HB   THR   4           HB       THR   4  -5.751  -2.310  -2.258
   17    HG1  THR   4           1HG      THR   4  -4.218  -4.433  -3.216
   18   1HG2  THR   4          1HG2      THR   4  -4.648  -0.776  -3.950
   19   2HG2  THR   4          2HG2      THR   4  -5.981  -1.762  -4.551
   20   3HG2  THR   4          3HG2      THR   4  -4.315  -2.222  -4.904
   21    H    CYS   5           H        CYS   5  -4.607  -1.668   0.094
   22    HA   CYS   5           HA       CYS   5  -4.104  -4.262   1.348
   23   1HB   CYS   5          2HB       CYS   5  -3.452  -3.120   3.441
   24   2HB   CYS   5          1HB       CYS   5  -2.330  -2.819   2.123
   25    H    PHE   6           H        PHE   6  -6.487  -4.057   0.449
   26    HA   PHE   6           HA       PHE   6  -8.442  -2.599   1.780
   27   1HB   PHE   6          2HB       PHE   6  -8.523  -5.330   0.503
   28   2HB   PHE   6          1HB       PHE   6  -9.954  -4.605   1.226
   29    HD1  PHE   6           1HD      PHE   6  -7.214  -3.345  -0.995
   30    HD2  PHE   6           2HD      PHE   6 -11.395  -3.804  -0.347
   31    HE1  PHE   6           1HE      PHE   6  -7.668  -2.131  -3.086
   32    HE2  PHE   6           2HE      PHE   6 -11.855  -2.592  -2.437
   33    HZ   PHE   6           HZ       PHE   6  -9.991  -1.753  -3.810
   34    H    GLY   7           H        GLY   7  -6.702  -5.439   2.734
   35   1HA   GLY   7          2HA       GLY   7  -7.836  -5.200   5.429
   36   2HA   GLY   7          1HA       GLY   7  -7.780  -6.783   4.656
   37    H    GLY   8           H        GLY   8  -5.397  -4.216   4.351
   38   1HA   GLY   8          2HA       GLY   8  -3.161  -4.116   4.879
   39   2HA   GLY   8          1HA       GLY   8  -3.543  -5.121   6.271
   40    H    THR   9           H        THR   9  -3.893  -5.874   2.834
   41    HA   THR   9           HA       THR   9  -2.188  -8.220   3.260
   42    HB   THR   9           HB       THR   9  -3.371  -8.973   1.106
   43    HG1  THR   9           1HG      THR   9  -4.433  -7.256   0.347
   44   1HG2  THR   9          1HG2      THR   9  -4.052  -9.163   3.829
   45   2HG2  THR   9          2HG2      THR   9  -4.536 -10.245   2.523
   46   3HG2  THR   9          3HG2      THR   9  -5.561  -8.878   2.962
   47    H    CYS  10           H        CYS  10  -0.763  -5.846   2.735
   48    HA   CYS  10           HA       CYS  10  -0.230  -5.762  -0.101
   49   1HB   CYS  10          2HB       CYS  10   1.156  -4.330   2.183
   50   2HB   CYS  10          1HB       CYS  10   1.487  -4.074   0.473
   51    H    ASN  11           H        ASN  11   1.122  -6.977  -1.167
   52    HA   ASN  11           HA       ASN  11   2.694  -8.957   0.161
   53   1HB   ASN  11          2HB       ASN  11   2.584  -8.093  -2.734
   54   2HB   ASN  11          1HB       ASN  11   3.575  -9.426  -2.161
   55   1HD2  ASN  11          1HD2      ASN  11   0.641  -9.084  -0.476
   56   2HD2  ASN  11          2HD2      ASN  11  -0.241 -10.323  -1.294
   57    H    THR  12           H        THR  12   3.389  -5.848  -1.308
   58    HA   THR  12           HA       THR  12   6.230  -6.116  -1.177
   59    HB   THR  12           HB       THR  12   4.690  -3.522  -1.313
   60    HG1  THR  12           1HG      THR  12   4.648  -5.586  -3.036
   61   1HG2  THR  12          1HG2      THR  12   7.107  -3.310  -0.986
   62   2HG2  THR  12          2HG2      THR  12   6.647  -2.776  -2.604
   63   3HG2  THR  12          3HG2      THR  12   7.395  -4.357  -2.375
   64    HA   PRO  13           HA       PRO  13   6.409  -5.293   3.224
   65   1HB   PRO  13          2HB       PRO  13   9.066  -5.676   3.499
   66   2HB   PRO  13          1HB       PRO  13   7.931  -7.016   3.302
   67   1HG   PRO  13          2HG       PRO  13   9.711  -5.726   1.274
   68   2HG   PRO  13          1HG       PRO  13   9.357  -7.446   1.522
   69   1HD   PRO  13          2HD       PRO  13   8.171  -5.922  -0.411
   70   2HD   PRO  13          1HD       PRO  13   7.402  -7.340   0.328
   71    H    GLY  14           H        GLY  14   6.834  -3.516   4.436
   72   1HA   GLY  14          2HA       GLY  14   8.062  -1.574   5.034
   73   2HA   GLY  14          1HA       GLY  14   8.692  -1.502   3.395
   74    H    CYS  15           H        CYS  15   5.868  -2.016   2.414
   75    HA   CYS  15           HA       CYS  15   5.182   0.710   2.037
   76   1HB   CYS  15          2HB       CYS  15   3.688  -1.844   1.386
   77   2HB   CYS  15          1HB       CYS  15   3.156  -0.233   0.898
   78    H    SER  16           H        SER  16   3.987   2.001   3.240
   79    HA   SER  16           HA       SER  16   2.719   1.012   5.634
   80   1HB   SER  16          2HB       SER  16   3.948   3.201   5.539
   81   2HB   SER  16          1HB       SER  16   2.691   3.813   4.466
   82    HG   SER  16           HG       SER  16   2.692   3.785   7.101
   83    H    CYS  17           H        CYS  17   0.610   0.495   5.811
   84    HA   CYS  17           HA       CYS  17  -0.977   0.508   3.447
   85   1HB   CYS  17          2HB       CYS  17  -1.172  -1.373   4.926
   86   2HB   CYS  17          1HB       CYS  17  -1.617  -0.333   6.275
   87    H    THR  18           H        THR  18  -1.480   2.529   2.820
   88    HA   THR  18           HA       THR  18  -2.913   4.283   4.660
   89    HB   THR  18           HB       THR  18  -2.263   4.823   1.751
   90    HG1  THR  18           1HG      THR  18  -0.604   4.695   3.928
   91   1HG2  THR  18          1HG2      THR  18  -3.947   6.231   3.120
   92   2HG2  THR  18          2HG2      THR  18  -2.684   7.077   2.227
   93   3HG2  THR  18          3HG2      THR  18  -2.523   6.836   3.966
   94    H    TRP  19           H        TRP  19  -4.350   2.388   4.704
   95    HA   TRP  19           HA       TRP  19  -5.867   1.072   3.138
   96   1HB   TRP  19          2HB       TRP  19  -6.217   1.496   5.626
   97   2HB   TRP  19          1HB       TRP  19  -7.316   2.783   5.141
   98    HD1  TRP  19           HD       TRP  19  -6.913  -1.020   4.430
   99    HE1  TRP  19           1HE      TRP  19  -9.268  -2.054   4.304
  100    HE3  TRP  19           3HE      TRP  19  -9.693   3.227   5.063
  101    HZ2  TRP  19           2HZ      TRP  19 -11.948  -1.178   4.446
  102    HZ3  TRP  19           3HZ      TRP  19 -12.146   3.041   5.051
  103    HH2  TRP  19           HH       TRP  19 -13.249   0.884   4.749
  104    HA   PRO  20           HA       PRO  20  -6.654   0.249   1.998
  105   1HB   PRO  20          2HB       PRO  20  -7.873  -0.473  -0.256
  106   2HB   PRO  20          1HB       PRO  20  -8.805  -0.057   1.185
  107   1HG   PRO  20          2HG       PRO  20  -8.468   1.453  -1.329
  108   2HG   PRO  20          1HG       PRO  20  -9.764   1.551  -0.125
  109   1HD   PRO  20          2HD       PRO  20  -7.414   3.238  -0.406
  110   2HD   PRO  20          1HD       PRO  20  -8.792   3.430   0.698
  111    H    ILE  21           H        ILE  21  -4.908   2.476   0.759
  112    HA   ILE  21           HA       ILE  21  -3.650   0.785  -1.322
  113    HB   ILE  21           HB       ILE  21  -3.618   3.807  -1.203
  114   1HG1  ILE  21          2HG1      ILE  21  -5.850   2.910  -1.801
  115   2HG1  ILE  21          1HG1      ILE  21  -5.096   3.781  -3.133
  116   1HG2  ILE  21          1HG2      ILE  21  -2.640   3.631  -3.468
  117   2HG2  ILE  21          2HG2      ILE  21  -2.549   1.883  -3.259
  118   3HG2  ILE  21          3HG2      ILE  21  -1.611   2.946  -2.210
  119   1HD1  ILE  21          1HD1      ILE  21  -4.682   1.820  -4.325
  120   2HD1  ILE  21          2HD1      ILE  21  -6.300   1.599  -3.655
  121   3HD1  ILE  21          3HD1      ILE  21  -4.917   0.799  -2.905
  122    H    CYS  22           H        CYS  22  -1.569   0.210  -0.945
  123    HA   CYS  22           HA       CYS  22  -0.274   1.226   1.425
  124   1HB   CYS  22          2HB       CYS  22   0.256  -0.985  -0.469
  125   2HB   CYS  22          1HB       CYS  22   1.652  -0.301   0.359
  126    H    THR  23           H        THR  23   1.257   2.668   1.604
  127    HA   THR  23           HA       THR  23   2.395   3.824  -0.872
  128    HB   THR  23           HB       THR  23   2.636   5.944   0.435
  129    HG1  THR  23           1HG      THR  23   0.728   5.312   2.295
  130   1HG2  THR  23          1HG2      THR  23   0.063   6.356   0.577
  131   2HG2  THR  23          2HG2      THR  23  -0.052   4.745  -0.132
  132   3HG2  THR  23          3HG2      THR  23   0.804   6.027  -0.990
  133    H    ARG  24           H        ARG  24   4.579   4.174  -0.944
  134    HA   ARG  24           HA       ARG  24   6.139   2.986   1.225
  135   1HB   ARG  24          2HB       ARG  24   6.562   2.359  -1.208
  136   2HB   ARG  24          1HB       ARG  24   7.165   3.995  -1.436
  137   1HG   ARG  24          2HG       ARG  24   8.955   2.329  -1.072
  138   2HG   ARG  24          1HG       ARG  24   8.947   3.619   0.135
  139   1HD   ARG  24          2HD       ARG  24   8.073   2.225   1.793
  140   2HD   ARG  24          1HD       ARG  24   7.503   1.039   0.623
  141    HE   ARG  24           HE       ARG  24   9.512   0.004   0.779
  142   1HH1  ARG  24          1HH1      ARG  24   9.997   3.330   1.847
  143   2HH1  ARG  24          2HH1      ARG  24  11.623   3.038   2.359
  144   1HH2  ARG  24          1HH2      ARG  24  11.665  -0.341   1.448
  145   2HH2  ARG  24          2HH2      ARG  24  12.574   0.967   2.125
  146    H    ASP  25           H        ASP  25   6.358   4.421   2.786
  147    HA   ASP  25           HA       ASP  25   6.913   6.287   3.933
  148   1HB   ASP  25          2HB       ASP  25   8.511   7.152   1.522
  149   2HB   ASP  25          1HB       ASP  25   8.813   7.530   3.215
  150    H    GLY  26           H        GLY  26   4.527   6.281   2.428
  151   1HA   GLY  26          2HA       GLY  26   2.873   7.965   2.381
  152   2HA   GLY  26          1HA       GLY  26   4.138   9.169   2.199
  153    H    LEU  27           H        LEU  27   5.226   7.193   0.011
  154    HA   LEU  27           HA       LEU  27   3.715   8.480  -2.113
  155   1HB   LEU  27          2HB       LEU  27   6.294   6.929  -2.129
  156   2HB   LEU  27          1HB       LEU  27   5.528   7.549  -3.580
  157    HG   LEU  27           HG       LEU  27   6.398   9.284  -1.282
  158   1HD1  LEU  27          1HD1      LEU  27   7.988   9.727  -3.567
  159   2HD1  LEU  27          2HD1      LEU  27   7.982   7.988  -3.274
  160   3HD1  LEU  27          3HD1      LEU  27   8.492   9.096  -2.000
  161   1HD2  LEU  27          1HD2      LEU  27   6.209  11.071  -3.000
  162   2HD2  LEU  27          2HD2      LEU  27   4.673  10.310  -2.587
  163   3HD2  LEU  27          3HD2      LEU  27   5.493   9.884  -4.089
  164    HA   PRO  28           HA       PRO  28   1.454   4.666  -2.726
  165   1HB   PRO  28          2HB       PRO  28   0.251   6.010  -5.019
  166   2HB   PRO  28          1HB       PRO  28  -0.504   5.500  -3.508
  167   1HG   PRO  28          2HG       PRO  28  -0.120   8.105  -4.150
  168   2HG   PRO  28          1HG       PRO  28  -0.113   7.515  -2.479
  169   1HD   PRO  28          2HD       PRO  28   2.200   8.187  -4.261
  170   2HD   PRO  28          1HD       PRO  28   1.973   8.527  -2.531
  171    H    VAL  29           H        VAL  29   4.108   4.909  -3.812
  172    HA   VAL  29           HA       VAL  29   3.860   4.058  -6.592
  173    HB   VAL  29           HB       VAL  29   6.331   4.100  -6.622
  174   1HG1  VAL  29          1HG1      VAL  29   6.506   6.631  -6.062
  175   2HG1  VAL  29          2HG1      VAL  29   4.768   6.506  -5.788
  176   3HG1  VAL  29          3HG1      VAL  29   5.443   6.099  -7.365
  177   1HG2  VAL  29          1HG2      VAL  29   7.306   3.745  -4.627
  178   2HG2  VAL  29          2HG2      VAL  29   5.934   4.393  -3.729
  179   3HG2  VAL  29          3HG2      VAL  29   7.130   5.488  -4.423
  Start of MODEL    7
    1   1H    CYS   1           H        CYS   1   3.214   2.402  -4.041
    2    HA   CYS   1           HA       CYS   1   5.117   0.282  -4.380
    3   1HB   CYS   1          2HB       CYS   1   2.582   0.519  -2.760
    4   2HB   CYS   1          1HB       CYS   1   3.614  -0.901  -2.749
    5    H    GLY   2           H        GLY   2   2.003   1.098  -5.647
    6   1HA   GLY   2          2HA       GLY   2   0.671   0.066  -7.216
    7   2HA   GLY   2          1HA       GLY   2   2.062  -0.943  -7.607
    8    H    GLU   3           H        GLU   3   0.529  -0.644  -4.480
    9    HA   GLU   3           HA       GLU   3  -0.660  -3.300  -4.710
   10   1HB   GLU   3          2HB       GLU   3   1.501  -3.764  -3.769
   11   2HB   GLU   3          1HB       GLU   3   1.367  -2.420  -2.646
   12   1HG   GLU   3          2HG       GLU   3   1.066  -4.476  -1.463
   13   2HG   GLU   3          1HG       GLU   3  -0.463  -3.601  -1.496
   14    H    THR   4           H        THR   4  -2.415  -3.617  -3.366
   15    HA   THR   4           HA       THR   4  -3.323  -1.225  -1.897
   16    HB   THR   4           HB       THR   4  -5.648  -2.029  -2.337
   17    HG1  THR   4           1HG      THR   4  -4.279  -4.087  -3.451
   18   1HG2  THR   4          1HG2      THR   4  -5.580  -1.365  -4.822
   19   2HG2  THR   4          2HG2      THR   4  -3.845  -1.159  -4.578
   20   3HG2  THR   4          3HG2      THR   4  -4.987  -0.197  -3.640
   21    H    CYS   5           H        CYS   5  -4.287  -1.530   0.088
   22    HA   CYS   5           HA       CYS   5  -4.068  -4.250   1.166
   23   1HB   CYS   5          2HB       CYS   5  -3.531  -3.261   3.348
   24   2HB   CYS   5          1HB       CYS   5  -2.345  -2.841   2.120
   25    H    PHE   6           H        PHE   6  -6.349  -3.898   0.047
   26    HA   PHE   6           HA       PHE   6  -8.389  -2.569   1.407
   27   1HB   PHE   6          2HB       PHE   6  -8.371  -5.010  -0.348
   28   2HB   PHE   6          1HB       PHE   6  -9.858  -4.471   0.420
   29    HD1  PHE   6           1HD      PHE   6 -11.241  -3.356  -1.002
   30    HD2  PHE   6           2HD      PHE   6  -7.041  -2.789  -1.383
   31    HE1  PHE   6           1HE      PHE   6 -11.626  -1.771  -2.843
   32    HE2  PHE   6           2HE      PHE   6  -7.419  -1.200  -3.223
   33    HZ   PHE   6           HZ       PHE   6  -9.714  -0.689  -3.955
   34    H    GLY   7           H        GLY   7  -6.850  -5.659   2.021
   35   1HA   GLY   7          2HA       GLY   7  -8.668  -6.105   4.291
   36   2HA   GLY   7          1HA       GLY   7  -7.655  -7.333   3.544
   37    H    GLY   8           H        GLY   8  -6.246  -4.239   4.052
   38   1HA   GLY   8          2HA       GLY   8  -4.683  -3.462   5.545
   39   2HA   GLY   8          1HA       GLY   8  -5.311  -4.621   6.708
   40    H    THR   9           H        THR   9  -3.818  -5.178   3.540
   41    HA   THR   9           HA       THR   9  -1.436  -6.217   4.796
   42    HB   THR   9           HB       THR   9  -2.951  -8.157   4.837
   43    HG1  THR   9           1HG      THR   9  -1.379  -9.478   4.209
   44   1HG2  THR   9          1HG2      THR   9  -4.287  -7.485   2.829
   45   2HG2  THR   9          2HG2      THR   9  -3.794  -9.177   2.842
   46   3HG2  THR   9          3HG2      THR   9  -2.940  -8.019   1.824
   47    H    CYS  10           H        CYS  10   0.337  -6.249   3.428
   48    HA   CYS  10           HA       CYS  10  -0.094  -5.439   0.637
   49   1HB   CYS  10          2HB       CYS  10   1.976  -4.214   2.479
   50   2HB   CYS  10          1HB       CYS  10   1.700  -3.797   0.793
   51    H    ASN  11           H        ASN  11   1.091  -6.617  -0.764
   52    HA   ASN  11           HA       ASN  11   2.797  -8.693   0.198
   53   1HB   ASN  11          2HB       ASN  11   2.117  -7.673  -2.553
   54   2HB   ASN  11          1HB       ASN  11   3.320  -8.936  -2.314
   55   1HD2  ASN  11          1HD2      ASN  11   0.025  -8.184  -2.557
   56   2HD2  ASN  11          2HD2      ASN  11  -0.595  -9.772  -2.224
   57    H    THR  12           H        THR  12   3.329  -5.558  -1.311
   58    HA   THR  12           HA       THR  12   6.151  -5.835  -1.565
   59    HB   THR  12           HB       THR  12   4.686  -3.208  -1.377
   60    HG1  THR  12           1HG      THR  12   4.619  -3.660  -3.830
   61   1HG2  THR  12          1HG2      THR  12   6.901  -3.926  -3.269
   62   2HG2  THR  12          2HG2      THR  12   7.260  -3.475  -1.602
   63   3HG2  THR  12          3HG2      THR  12   6.426  -2.340  -2.662
   64    HA   PRO  13           HA       PRO  13   6.935  -5.244   2.818
   65   1HB   PRO  13          2HB       PRO  13   9.755  -5.337   2.014
   66   2HB   PRO  13          1HB       PRO  13   8.856  -6.424   3.075
   67   1HG   PRO  13          2HG       PRO  13   9.679  -7.179   0.625
   68   2HG   PRO  13          1HG       PRO  13   8.163  -7.767   1.333
   69   1HD   PRO  13          2HD       PRO  13   8.594  -5.613  -0.705
   70   2HD   PRO  13          1HD       PRO  13   7.348  -6.880  -0.650
   71    H    GLY  14           H        GLY  14   7.324  -3.484   4.034
   72   1HA   GLY  14          2HA       GLY  14   8.457  -1.496   4.630
   73   2HA   GLY  14          1HA       GLY  14   8.992  -1.331   2.965
   74    H    CYS  15           H        CYS  15   6.097  -1.955   2.180
   75    HA   CYS  15           HA       CYS  15   5.301   0.793   2.022
   76   1HB   CYS  15          2HB       CYS  15   3.917  -1.736   1.117
   77   2HB   CYS  15          1HB       CYS  15   3.359  -0.104   0.756
   78    H    SER  16           H        SER  16   4.021   1.873   3.323
   79    HA   SER  16           HA       SER  16   2.810   0.580   5.600
   80   1HB   SER  16          2HB       SER  16   3.951   2.810   5.751
   81   2HB   SER  16          1HB       SER  16   2.673   3.486   4.741
   82    HG   SER  16           HG       SER  16   2.648   3.289   7.324
   83    H    CYS  17           H        CYS  17   0.658   0.171   5.852
   84    HA   CYS  17           HA       CYS  17  -0.936   0.213   3.481
   85   1HB   CYS  17          2HB       CYS  17  -1.175  -1.701   4.890
   86   2HB   CYS  17          1HB       CYS  17  -1.524  -0.701   6.296
   87    H    THR  18           H        THR  18  -1.437   2.252   2.899
   88    HA   THR  18           HA       THR  18  -2.848   3.963   4.801
   89    HB   THR  18           HB       THR  18  -2.117   4.608   1.932
   90    HG1  THR  18           1HG      THR  18  -0.561   4.467   4.207
   91   1HG2  THR  18          1HG2      THR  18  -2.775   6.356   4.312
   92   2HG2  THR  18          2HG2      THR  18  -3.811   6.069   2.913
   93   3HG2  THR  18          3HG2      THR  18  -2.290   6.940   2.720
   94    H    TRP  19           H        TRP  19  -4.370   2.150   4.770
   95    HA   TRP  19           HA       TRP  19  -5.881   0.963   3.053
   96   1HB   TRP  19          2HB       TRP  19  -6.255   1.203   5.570
   97   2HB   TRP  19          1HB       TRP  19  -7.325   2.540   5.166
   98    HD1  TRP  19           HD       TRP  19  -6.964  -1.184   4.103
   99    HE1  TRP  19           1HE      TRP  19  -9.330  -2.180   3.884
  100    HE3  TRP  19           3HE      TRP  19  -9.698   2.998   5.185
  101    HZ2  TRP  19           2HZ      TRP  19 -12.000  -1.298   4.133
  102    HZ3  TRP  19           3HZ      TRP  19 -12.153   2.838   5.170
  103    HH2  TRP  19           HH       TRP  19 -13.279   0.733   4.654
  104    HA   PRO  20           HA       PRO  20  -6.751   0.254   1.899
  105   1HB   PRO  20          2HB       PRO  20  -8.003  -0.262  -0.396
  106   2HB   PRO  20          1HB       PRO  20  -8.913   0.124   1.070
  107   1HG   PRO  20          2HG       PRO  20  -8.477   1.758  -1.350
  108   2HG   PRO  20          1HG       PRO  20  -9.772   1.856  -0.147
  109   1HD   PRO  20          2HD       PRO  20  -7.335   3.425  -0.319
  110   2HD   PRO  20          1HD       PRO  20  -8.702   3.620   0.799
  111    H    ILE  21           H        ILE  21  -4.835   2.413   0.809
  112    HA   ILE  21           HA       ILE  21  -3.680   0.744  -1.344
  113    HB   ILE  21           HB       ILE  21  -3.549   3.760  -1.165
  114   1HG1  ILE  21          2HG1      ILE  21  -5.019   1.998  -3.141
  115   2HG1  ILE  21          1HG1      ILE  21  -5.779   2.889  -1.826
  116   1HG2  ILE  21          1HG2      ILE  21  -2.628   2.014  -3.435
  117   2HG2  ILE  21          2HG2      ILE  21  -1.554   2.556  -2.145
  118   3HG2  ILE  21          3HG2      ILE  21  -2.336   3.736  -3.197
  119   1HD1  ILE  21          1HD1      ILE  21  -4.926   4.988  -2.860
  120   2HD1  ILE  21          2HD1      ILE  21  -6.099   4.110  -3.841
  121   3HD1  ILE  21          3HD1      ILE  21  -4.381   4.024  -4.233
  122    H    CYS  22           H        CYS  22  -1.592   0.150  -1.107
  123    HA   CYS  22           HA       CYS  22  -0.243   0.845   1.342
  124   1HB   CYS  22          2HB       CYS  22   0.808  -0.809  -0.957
  125   2HB   CYS  22          1HB       CYS  22   1.386  -0.809   0.708
  126    H    THR  23           H        THR  23   1.261   2.367   1.619
  127    HA   THR  23           HA       THR  23   2.367   3.671  -0.803
  128    HB   THR  23           HB       THR  23   2.603   5.712   0.626
  129    HG1  THR  23           1HG      THR  23   0.746   4.947   2.480
  130   1HG2  THR  23          1HG2      THR  23   0.068   4.514  -0.253
  131   2HG2  THR  23          2HG2      THR  23   0.736   6.115  -0.573
  132   3HG2  THR  23          3HG2      THR  23  -0.111   5.800   0.942
  133    H    ARG  24           H        ARG  24   4.527   3.988  -0.951
  134    HA   ARG  24           HA       ARG  24   6.194   2.755   1.105
  135   1HB   ARG  24          2HB       ARG  24   6.512   2.306  -1.389
  136   2HB   ARG  24          1HB       ARG  24   7.111   3.955  -1.514
  137   1HG   ARG  24          2HG       ARG  24   8.992   2.519  -1.344
  138   2HG   ARG  24          1HG       ARG  24   8.839   3.373   0.192
  139   1HD   ARG  24          2HD       ARG  24   7.584   1.354   1.050
  140   2HD   ARG  24          1HD       ARG  24   8.076   0.524  -0.426
  141    HE   ARG  24           HE       ARG  24  10.166   0.272   0.461
  142   1HH1  ARG  24          1HH1      ARG  24   8.406   2.589   2.364
  143   2HH1  ARG  24          2HH1      ARG  24   9.726   2.967   3.417
  144   1HH2  ARG  24          1HH2      ARG  24  11.919   0.674   1.915
  145   2HH2  ARG  24          2HH2      ARG  24  11.715   1.834   3.185
  146    H    ASP  25           H        ASP  25   6.403   4.127   2.755
  147    HA   ASP  25           HA       ASP  25   6.978   5.914   4.001
  148   1HB   ASP  25          2HB       ASP  25   8.626   6.730   1.597
  149   2HB   ASP  25          1HB       ASP  25   8.806   7.355   3.232
  150    H    GLY  26           H        GLY  26   4.559   6.084   2.614
  151   1HA   GLY  26          2HA       GLY  26   2.919   7.729   2.559
  152   2HA   GLY  26          1HA       GLY  26   4.172   8.947   2.730
  153    H    LEU  27           H        LEU  27   4.189   6.475   0.252
  154    HA   LEU  27           HA       LEU  27   3.226   8.350  -1.742
  155   1HB   LEU  27          2HB       LEU  27   5.731   8.600  -1.525
  156   2HB   LEU  27          1HB       LEU  27   5.874   6.939  -2.063
  157    HG   LEU  27           HG       LEU  27   4.849   7.538  -4.212
  158   1HD1  LEU  27          1HD1      LEU  27   3.444   9.309  -4.010
  159   2HD1  LEU  27          2HD1      LEU  27   4.885  10.182  -4.531
  160   3HD1  LEU  27          3HD1      LEU  27   4.460  10.123  -2.820
  161   1HD2  LEU  27          1HD2      LEU  27   6.823   9.565  -4.374
  162   2HD2  LEU  27          2HD2      LEU  27   6.935   7.878  -4.879
  163   3HD2  LEU  27          3HD2      LEU  27   7.395   8.342  -3.240
  164    HA   PRO  28           HA       PRO  28   1.322   4.412  -2.716
  165   1HB   PRO  28          2HB       PRO  28  -0.287   5.326  -4.697
  166   2HB   PRO  28          1HB       PRO  28  -0.626   5.581  -2.982
  167   1HG   PRO  28          2HG       PRO  28   0.619   7.450  -4.963
  168   2HG   PRO  28          1HG       PRO  28  -0.617   7.783  -3.736
  169   1HD   PRO  28          2HD       PRO  28   1.989   8.401  -3.371
  170   2HD   PRO  28          1HD       PRO  28   0.931   7.917  -2.032
  171    H    VAL  29           H        VAL  29   3.921   4.760  -3.795
  172    HA   VAL  29           HA       VAL  29   3.591   4.098  -6.630
  173    HB   VAL  29           HB       VAL  29   6.080   4.261  -6.748
  174   1HG1  VAL  29          1HG1      VAL  29   4.331   6.176  -7.061
  175   2HG1  VAL  29          2HG1      VAL  29   6.056   6.540  -7.042
  176   3HG1  VAL  29          3HG1      VAL  29   5.079   6.826  -5.601
  177   1HG2  VAL  29          1HG2      VAL  29   7.086   5.587  -4.772
  178   2HG2  VAL  29          2HG2      VAL  29   6.874   3.845  -4.600
  179   3HG2  VAL  29          3HG2      VAL  29   5.721   4.951  -3.853
  Start of MODEL    8
    1   1H    CYS   1           H        CYS   1   3.360   2.265  -3.835
    2    HA   CYS   1           HA       CYS   1   5.271   0.132  -3.977
    3   1HB   CYS   1          2HB       CYS   1   2.676   0.468  -2.477
    4   2HB   CYS   1          1HB       CYS   1   3.674  -0.973  -2.370
    5    H    GLY   2           H        GLY   2   2.263   0.913  -5.470
    6   1HA   GLY   2          2HA       GLY   2   1.026  -0.166  -7.080
    7   2HA   GLY   2          1HA       GLY   2   2.423  -1.209  -7.328
    8    H    GLU   3           H        GLU   3   0.539  -0.751  -4.392
    9    HA   GLU   3           HA       GLU   3  -0.711  -3.354  -4.651
   10   1HB   GLU   3          2HB       GLU   3   1.363  -4.012  -3.660
   11   2HB   GLU   3          1HB       GLU   3   1.330  -2.665  -2.534
   12   1HG   GLU   3          2HG       GLU   3   0.827  -4.679  -1.356
   13   2HG   GLU   3          1HG       GLU   3  -0.625  -3.686  -1.427
   14    H    THR   4           H        THR   4  -2.485  -3.613  -3.309
   15    HA   THR   4           HA       THR   4  -3.308  -1.189  -1.840
   16    HB   THR   4           HB       THR   4  -5.657  -1.909  -2.284
   17    HG1  THR   4           1HG      THR   4  -4.370  -4.016  -3.396
   18   1HG2  THR   4          1HG2      THR   4  -5.517  -1.281  -4.809
   19   2HG2  THR   4          2HG2      THR   4  -3.803  -1.043  -4.471
   20   3HG2  THR   4          3HG2      THR   4  -5.013  -0.106  -3.594
   21    H    CYS   5           H        CYS   5  -4.244  -1.476   0.160
   22    HA   CYS   5           HA       CYS   5  -4.078  -4.211   1.204
   23   1HB   CYS   5          2HB       CYS   5  -3.579  -3.235   3.406
   24   2HB   CYS   5          1HB       CYS   5  -2.370  -2.827   2.198
   25    H    PHE   6           H        PHE   6  -6.349  -3.879   0.077
   26    HA   PHE   6           HA       PHE   6  -8.411  -2.575   1.436
   27   1HB   PHE   6          2HB       PHE   6  -8.360  -5.002  -0.339
   28   2HB   PHE   6          1HB       PHE   6  -9.856  -4.486   0.430
   29    HD1  PHE   6           1HD      PHE   6 -11.248  -3.365  -0.978
   30    HD2  PHE   6           2HD      PHE   6  -7.052  -2.770  -1.363
   31    HE1  PHE   6           1HE      PHE   6 -11.646  -1.769  -2.808
   32    HE2  PHE   6           2HE      PHE   6  -7.444  -1.172  -3.192
   33    HZ   PHE   6           HZ       PHE   6  -9.743  -0.669  -3.917
   34    H    GLY   7           H        GLY   7  -6.847  -5.658   2.021
   35   1HA   GLY   7          2HA       GLY   7  -8.656  -6.134   4.295
   36   2HA   GLY   7          1HA       GLY   7  -7.649  -7.354   3.526
   37    H    GLY   8           H        GLY   8  -6.252  -4.256   4.081
   38   1HA   GLY   8          2HA       GLY   8  -4.679  -3.500   5.576
   39   2HA   GLY   8          1HA       GLY   8  -5.291  -4.686   6.718
   40    H    THR   9           H        THR   9  -3.832  -5.199   3.531
   41    HA   THR   9           HA       THR   9  -1.416  -6.214   4.741
   42    HB   THR   9           HB       THR   9  -2.926  -8.168   4.796
   43    HG1  THR   9           1HG      THR   9  -1.250  -9.369   4.330
   44   1HG2  THR   9          1HG2      THR   9  -3.187  -7.544   1.883
   45   2HG2  THR   9          2HG2      THR   9  -4.430  -7.999   3.049
   46   3HG2  THR   9          3HG2      THR   9  -3.311  -9.215   2.433
   47    H    CYS  10           H        CYS  10   0.333  -6.207   3.339
   48    HA   CYS  10           HA       CYS  10  -0.180  -5.349   0.573
   49   1HB   CYS  10          2HB       CYS  10   1.962  -4.205   2.380
   50   2HB   CYS  10          1HB       CYS  10   1.641  -3.737   0.717
   51    H    ASN  11           H        ASN  11   0.927  -6.506  -0.903
   52    HA   ASN  11           HA       ASN  11   2.642  -8.634  -0.102
   53   1HB   ASN  11          2HB       ASN  11   1.200  -8.620  -2.167
   54   2HB   ASN  11          1HB       ASN  11   2.319  -7.464  -2.876
   55   1HD2  ASN  11          1HD2      ASN  11   1.514 -10.631  -2.710
   56   2HD2  ASN  11          2HD2      ASN  11   3.010 -11.341  -3.200
   57    H    THR  12           H        THR  12   3.178  -5.493  -1.625
   58    HA   THR  12           HA       THR  12   5.968  -5.713  -1.944
   59    HB   THR  12           HB       THR  12   4.510  -3.114  -1.495
   60    HG1  THR  12           1HG      THR  12   4.301  -3.385  -3.965
   61   1HG2  THR  12          1HG2      THR  12   7.136  -3.791  -2.255
   62   2HG2  THR  12          2HG2      THR  12   6.393  -2.191  -2.261
   63   3HG2  THR  12          3HG2      THR  12   6.337  -3.195  -3.710
   64    HA   PRO  13           HA       PRO  13   6.956  -5.381   2.421
   65   1HB   PRO  13          2HB       PRO  13   9.642  -5.656   2.135
   66   2HB   PRO  13          1HB       PRO  13   8.522  -7.021   2.057
   67   1HG   PRO  13          2HG       PRO  13   9.812  -5.498  -0.172
   68   2HG   PRO  13          1HG       PRO  13   9.564  -7.246  -0.006
   69   1HD   PRO  13          2HD       PRO  13   7.969  -5.666  -1.535
   70   2HD   PRO  13          1HD       PRO  13   7.381  -7.130  -0.721
   71    H    GLY  14           H        GLY  14   7.562  -3.788   3.743
   72   1HA   GLY  14          2HA       GLY  14   8.484  -1.798   4.471
   73   2HA   GLY  14          1HA       GLY  14   9.329  -1.668   2.935
   74    H    CYS  15           H        CYS  15   5.865  -2.091   3.261
   75    HA   CYS  15           HA       CYS  15   5.505   0.667   2.335
   76   1HB   CYS  15          2HB       CYS  15   4.131  -1.850   1.411
   77   2HB   CYS  15          1HB       CYS  15   3.498  -0.244   1.086
   78    H    SER  16           H        SER  16   4.037   1.861   3.376
   79    HA   SER  16           HA       SER  16   2.776   0.746   5.729
   80   1HB   SER  16          2HB       SER  16   3.900   2.981   5.754
   81   2HB   SER  16          1HB       SER  16   2.671   3.573   4.638
   82    HG   SER  16           HG       SER  16   2.513   3.639   7.198
   83    H    CYS  17           H        CYS  17   0.627   0.322   5.943
   84    HA   CYS  17           HA       CYS  17  -0.923   0.270   3.522
   85   1HB   CYS  17          2HB       CYS  17  -1.156  -1.651   4.907
   86   2HB   CYS  17          1HB       CYS  17  -1.494  -0.672   6.331
   87    H    THR  18           H        THR  18  -1.472   2.297   2.932
   88    HA   THR  18           HA       THR  18  -2.914   3.987   4.828
   89    HB   THR  18           HB       THR  18  -2.210   4.640   1.955
   90    HG1  THR  18           1HG      THR  18  -0.614   4.468   4.180
   91   1HG2  THR  18          1HG2      THR  18  -3.606   6.345   2.502
   92   2HG2  THR  18          2HG2      THR  18  -2.174   6.979   3.314
   93   3HG2  THR  18          3HG2      THR  18  -3.395   6.102   4.236
   94    H    TRP  19           H        TRP  19  -4.423   2.156   4.806
   95    HA   TRP  19           HA       TRP  19  -5.919   0.959   3.074
   96   1HB   TRP  19          2HB       TRP  19  -6.295   1.153   5.590
   97   2HB   TRP  19          1HB       TRP  19  -7.363   2.501   5.216
   98    HD1  TRP  19           HD       TRP  19  -7.018  -1.223   4.158
   99    HE1  TRP  19           1HE      TRP  19  -9.387  -2.199   3.897
  100    HE3  TRP  19           3HE      TRP  19  -9.736   2.994   5.143
  101    HZ2  TRP  19           2HZ      TRP  19 -12.054  -1.291   4.080
  102    HZ3  TRP  19           3HZ      TRP  19 -12.191   2.855   5.076
  103    HH2  TRP  19           HH       TRP  19 -13.325   0.756   4.555
  104    HA   PRO  20           HA       PRO  20  -6.799   0.253   1.918
  105   1HB   PRO  20          2HB       PRO  20  -8.060  -0.250  -0.374
  106   2HB   PRO  20          1HB       PRO  20  -8.963   0.117   1.099
  107   1HG   PRO  20          2HG       PRO  20  -8.547   1.777  -1.308
  108   2HG   PRO  20          1HG       PRO  20  -9.840   1.855  -0.100
  109   1HD   PRO  20          2HD       PRO  20  -7.415   3.442  -0.266
  110   2HD   PRO  20          1HD       PRO  20  -8.778   3.615   0.861
  111    H    ILE  21           H        ILE  21  -4.900   2.433   0.842
  112    HA   ILE  21           HA       ILE  21  -3.739   0.788  -1.326
  113    HB   ILE  21           HB       ILE  21  -3.635   3.805  -1.132
  114   1HG1  ILE  21          2HG1      ILE  21  -5.089   2.037  -3.115
  115   2HG1  ILE  21          1HG1      ILE  21  -5.857   2.918  -1.798
  116   1HG2  ILE  21          1HG2      ILE  21  -2.555   1.921  -3.226
  117   2HG2  ILE  21          2HG2      ILE  21  -1.609   2.904  -2.109
  118   3HG2  ILE  21          3HG2      ILE  21  -2.584   3.679  -3.358
  119   1HD1  ILE  21          1HD1      ILE  21  -5.996   3.956  -4.093
  120   2HD1  ILE  21          2HD1      ILE  21  -4.271   4.290  -3.944
  121   3HD1  ILE  21          3HD1      ILE  21  -5.409   4.999  -2.798
  122    H    CYS  22           H        CYS  22  -1.641   0.213  -1.094
  123    HA   CYS  22           HA       CYS  22  -0.304   0.920   1.360
  124   1HB   CYS  22          2HB       CYS  22   0.752  -0.746  -0.925
  125   2HB   CYS  22          1HB       CYS  22   1.328  -0.734   0.740
  126    H    THR  23           H        THR  23   1.176   2.453   1.636
  127    HA   THR  23           HA       THR  23   2.357   3.700  -0.776
  128    HB   THR  23           HB       THR  23   2.513   5.800   0.546
  129    HG1  THR  23           1HG      THR  23   0.632   5.116   2.411
  130   1HG2  THR  23          1HG2      THR  23  -0.072   4.519  -0.169
  131   2HG2  THR  23          2HG2      THR  23   0.671   5.993  -0.790
  132   3HG2  THR  23          3HG2      THR  23  -0.146   6.009   0.774
  133    H    ARG  24           H        ARG  24   4.502   4.185  -0.762
  134    HA   ARG  24           HA       ARG  24   6.069   3.048   1.443
  135   1HB   ARG  24          2HB       ARG  24   6.461   2.413  -1.053
  136   2HB   ARG  24          1HB       ARG  24   7.202   4.004  -1.180
  137   1HG   ARG  24          2HG       ARG  24   8.790   3.408   0.575
  138   2HG   ARG  24          1HG       ARG  24   8.045   1.813   0.704
  139   1HD   ARG  24          2HD       ARG  24   8.559   1.581  -1.793
  140   2HD   ARG  24          1HD       ARG  24   9.622   2.972  -1.571
  141    HE   ARG  24           HE       ARG  24  11.121   1.613  -0.523
  142   1HH1  ARG  24          1HH1      ARG  24   8.032  -0.026  -0.634
  143   2HH1  ARG  24          2HH1      ARG  24   8.635  -1.496   0.066
  144   1HH2  ARG  24          1HH2      ARG  24  11.924  -0.333   0.398
  145   2HH2  ARG  24          2HH2      ARG  24  10.847  -1.668   0.642
  146    H    ASP  25           H        ASP  25   6.345   4.545   2.927
  147    HA   ASP  25           HA       ASP  25   6.836   6.482   3.976
  148   1HB   ASP  25          2HB       ASP  25   8.398   7.058   1.445
  149   2HB   ASP  25          1HB       ASP  25   8.548   7.953   2.954
  150    H    GLY  26           H        GLY  26   4.420   6.297   2.510
  151   1HA   GLY  26          2HA       GLY  26   2.681   7.895   2.456
  152   2HA   GLY  26          1HA       GLY  26   3.878   9.155   2.217
  153    H    LEU  27           H        LEU  27   5.038   7.226   0.050
  154    HA   LEU  27           HA       LEU  27   3.385   8.345  -2.066
  155   1HB   LEU  27          2HB       LEU  27   6.094   7.035  -2.102
  156   2HB   LEU  27          1HB       LEU  27   5.248   7.546  -3.552
  157    HG   LEU  27           HG       LEU  27   5.994   9.409  -1.312
  158   1HD1  LEU  27          1HD1      LEU  27   7.972   8.376  -2.429
  159   2HD1  LEU  27          2HD1      LEU  27   7.860  10.125  -2.627
  160   3HD1  LEU  27          3HD1      LEU  27   7.399   9.056  -3.951
  161   1HD2  LEU  27          1HD2      LEU  27   5.756  10.909  -3.546
  162   2HD2  LEU  27          2HD2      LEU  27   4.453  10.646  -2.387
  163   3HD2  LEU  27          3HD2      LEU  27   4.541   9.667  -3.852
  164    HA   PRO  28           HA       PRO  28   1.457   4.343  -2.599
  165   1HB   PRO  28          2HB       PRO  28   0.149   5.521  -4.926
  166   2HB   PRO  28          1HB       PRO  28  -0.561   4.992  -3.400
  167   1HG   PRO  28          2HG       PRO  28  -0.392   7.603  -4.114
  168   2HG   PRO  28          1HG       PRO  28  -0.339   7.060  -2.428
  169   1HD   PRO  28          2HD       PRO  28   1.913   7.871  -4.229
  170   2HD   PRO  28          1HD       PRO  28   1.657   8.240  -2.511
  171    H    VAL  29           H        VAL  29   4.085   4.779  -3.706
  172    HA   VAL  29           HA       VAL  29   3.920   3.856  -6.466
  173    HB   VAL  29           HB       VAL  29   6.386   4.040  -6.464
  174   1HG1  VAL  29          1HG1      VAL  29   6.139   6.169  -7.058
  175   2HG1  VAL  29          2HG1      VAL  29   5.825   6.660  -5.393
  176   3HG1  VAL  29          3HG1      VAL  29   4.500   6.090  -6.410
  177   1HG2  VAL  29          1HG2      VAL  29   6.100   5.166  -3.680
  178   2HG2  VAL  29          2HG2      VAL  29   7.590   4.922  -4.593
  179   3HG2  VAL  29          3HG2      VAL  29   6.663   3.532  -4.029
  Start of MODEL    9
    1   1H    CYS   1           H        CYS   1   3.235   2.399  -4.109
    2    HA   CYS   1           HA       CYS   1   5.136   0.268  -4.356
    3   1HB   CYS   1          2HB       CYS   1   2.590   0.584  -2.771
    4   2HB   CYS   1          1HB       CYS   1   3.575  -0.869  -2.729
    5    H    GLY   2           H        GLY   2   2.016   1.056  -5.649
    6   1HA   GLY   2          2HA       GLY   2   0.695   0.000  -7.211
    7   2HA   GLY   2          1HA       GLY   2   2.099  -0.990  -7.600
    8    H    GLU   3           H        GLU   3   0.531  -0.696  -4.486
    9    HA   GLU   3           HA       GLU   3  -0.637  -3.353  -4.703
   10   1HB   GLU   3          2HB       GLU   3   1.496  -3.904  -3.831
   11   2HB   GLU   3          1HB       GLU   3   1.518  -2.505  -2.776
   12   1HG   GLU   3          2HG       GLU   3   1.241  -4.525  -1.501
   13   2HG   GLU   3          1HG       GLU   3  -0.201  -3.526  -1.381
   14    H    THR   4           H        THR   4  -2.410  -3.637  -3.399
   15    HA   THR   4           HA       THR   4  -3.252  -1.260  -1.870
   16    HB   THR   4           HB       THR   4  -5.593  -2.017  -2.299
   17    HG1  THR   4           1HG      THR   4  -4.317  -4.123  -3.358
   18   1HG2  THR   4          1HG2      THR   4  -5.592  -0.489  -3.922
   19   2HG2  THR   4          2HG2      THR   4  -4.801  -1.608  -5.031
   20   3HG2  THR   4          3HG2      THR   4  -3.832  -0.592  -3.965
   21    H    CYS   5           H        CYS   5  -4.208  -1.554   0.115
   22    HA   CYS   5           HA       CYS   5  -4.049  -4.280   1.190
   23   1HB   CYS   5          2HB       CYS   5  -3.483  -3.289   3.373
   24   2HB   CYS   5          1HB       CYS   5  -2.283  -2.930   2.138
   25    H    PHE   6           H        PHE   6  -6.335  -3.893   0.105
   26    HA   PHE   6           HA       PHE   6  -8.327  -2.490   1.457
   27   1HB   PHE   6          2HB       PHE   6  -8.389  -4.974  -0.235
   28   2HB   PHE   6          1HB       PHE   6  -9.853  -4.377   0.535
   29    HD1  PHE   6           1HD      PHE   6  -7.015  -2.807  -1.333
   30    HD2  PHE   6           2HD      PHE   6 -11.223  -3.267  -0.904
   31    HE1  PHE   6           1HE      PHE   6  -7.373  -1.245  -3.199
   32    HE2  PHE   6           2HE      PHE   6 -11.588  -1.707  -2.770
   33    HZ   PHE   6           HZ       PHE   6  -9.661  -0.694  -3.921
   34    H    GLY   7           H        GLY   7  -6.886  -5.621   2.122
   35   1HA   GLY   7          2HA       GLY   7  -8.665  -5.922   4.449
   36   2HA   GLY   7          1HA       GLY   7  -7.751  -7.223   3.699
   37    H    GLY   8           H        GLY   8  -6.160  -4.195   4.117
   38   1HA   GLY   8          2HA       GLY   8  -4.515  -3.489   5.560
   39   2HA   GLY   8          1HA       GLY   8  -5.156  -4.618   6.746
   40    H    THR   9           H        THR   9  -3.796  -5.221   3.531
   41    HA   THR   9           HA       THR   9  -1.449  -6.456   4.710
   42    HB   THR   9           HB       THR   9  -3.246  -8.009   2.835
   43    HG1  THR   9           1HG      THR   9  -3.368  -7.692   5.517
   44   1HG2  THR   9          1HG2      THR   9  -0.507  -8.341   3.711
   45   2HG2  THR   9          2HG2      THR   9  -1.406  -9.227   2.479
   46   3HG2  THR   9          3HG2      THR   9  -1.498  -9.726   4.168
   47    H    CYS  10           H        CYS  10   0.323  -6.237   3.415
   48    HA   CYS  10           HA       CYS  10  -0.114  -5.359   0.639
   49   1HB   CYS  10          2HB       CYS  10   1.996  -4.294   2.535
   50   2HB   CYS  10          1HB       CYS  10   1.774  -3.814   0.859
   51    H    ASN  11           H        ASN  11   0.926  -6.573  -0.813
   52    HA   ASN  11           HA       ASN  11   2.576  -8.747  -0.026
   53   1HB   ASN  11          2HB       ASN  11   1.168  -8.624  -2.125
   54   2HB   ASN  11          1HB       ASN  11   2.379  -7.537  -2.793
   55   1HD2  ASN  11          1HD2      ASN  11   3.978  -9.700  -0.854
   56   2HD2  ASN  11          2HD2      ASN  11   4.409 -10.867  -2.051
   57    H    THR  12           H        THR  12   3.245  -5.583  -1.438
   58    HA   THR  12           HA       THR  12   6.062  -5.947  -1.623
   59    HB   THR  12           HB       THR  12   4.667  -3.280  -1.443
   60    HG1  THR  12           1HG      THR  12   4.645  -3.688  -3.894
   61   1HG2  THR  12          1HG2      THR  12   7.224  -3.567  -1.576
   62   2HG2  THR  12          2HG2      THR  12   6.458  -2.456  -2.712
   63   3HG2  THR  12          3HG2      THR  12   6.941  -4.068  -3.243
   64    HA   PRO  13           HA       PRO  13   6.734  -5.409   2.788
   65   1HB   PRO  13          2HB       PRO  13   9.569  -5.648   2.097
   66   2HB   PRO  13          1HB       PRO  13   8.568  -6.705   3.094
   67   1HG   PRO  13          2HG       PRO  13   9.467  -7.450   0.662
   68   2HG   PRO  13          1HG       PRO  13   7.902  -7.987   1.302
   69   1HD   PRO  13          2HD       PRO  13   8.497  -5.818  -0.678
   70   2HD   PRO  13          1HD       PRO  13   7.202  -7.034  -0.694
   71    H    GLY  14           H        GLY  14   7.184  -3.673   4.021
   72   1HA   GLY  14          2HA       GLY  14   8.436  -1.758   4.646
   73   2HA   GLY  14          1HA       GLY  14   8.968  -1.597   2.980
   74    H    CYS  15           H        CYS  15   6.114  -2.049   2.113
   75    HA   CYS  15           HA       CYS  15   5.409   0.713   2.016
   76   1HB   CYS  15          2HB       CYS  15   3.947  -1.757   1.076
   77   2HB   CYS  15          1HB       CYS  15   3.409  -0.109   0.765
   78    H    SER  16           H        SER  16   4.138   1.839   3.284
   79    HA   SER  16           HA       SER  16   2.909   0.618   5.587
   80   1HB   SER  16          2HB       SER  16   4.075   2.837   5.675
   81   2HB   SER  16          1HB       SER  16   2.807   3.501   4.648
   82    HG   SER  16           HG       SER  16   2.785   3.353   7.244
   83    H    CYS  17           H        CYS  17   0.764   0.202   5.838
   84    HA   CYS  17           HA       CYS  17  -0.842   0.225   3.474
   85   1HB   CYS  17          2HB       CYS  17  -1.057  -1.672   4.920
   86   2HB   CYS  17          1HB       CYS  17  -1.433  -0.651   6.304
   87    H    THR  18           H        THR  18  -1.320   2.276   2.888
   88    HA   THR  18           HA       THR  18  -2.723   4.002   4.779
   89    HB   THR  18           HB       THR  18  -2.039   4.611   1.891
   90    HG1  THR  18           1HG      THR  18  -0.429   4.454   4.113
   91   1HG2  THR  18          1HG2      THR  18  -3.720   5.976   3.419
   92   2HG2  THR  18          2HG2      THR  18  -2.594   6.798   2.338
   93   3HG2  THR  18          3HG2      THR  18  -2.222   6.654   4.056
   94    H    TRP  19           H        TRP  19  -4.254   2.193   4.793
   95    HA   TRP  19           HA       TRP  19  -5.786   0.988   3.104
   96   1HB   TRP  19          2HB       TRP  19  -6.134   1.234   5.617
   97   2HB   TRP  19          1HB       TRP  19  -7.186   2.593   5.230
   98    HD1  TRP  19           HD       TRP  19  -6.910  -1.141   4.176
   99    HE1  TRP  19           1HE      TRP  19  -9.297  -2.089   3.981
  100    HE3  TRP  19           3HE      TRP  19  -9.549   3.104   5.255
  101    HZ2  TRP  19           2HZ      TRP  19 -11.946  -1.150   4.243
  102    HZ3  TRP  19           3HZ      TRP  19 -12.007   2.994   5.258
  103    HH2  TRP  19           HH       TRP  19 -13.179   0.910   4.763
  104    HA   PRO  20           HA       PRO  20  -6.688   0.266   1.979
  105   1HB   PRO  20          2HB       PRO  20  -7.976  -0.275  -0.289
  106   2HB   PRO  20          1HB       PRO  20  -8.862   0.137   1.184
  107   1HG   PRO  20          2HG       PRO  20  -8.451   1.735  -1.265
  108   2HG   PRO  20          1HG       PRO  20  -9.729   1.856  -0.046
  109   1HD   PRO  20          2HD       PRO  20  -7.288   3.410  -0.274
  110   2HD   PRO  20          1HD       PRO  20  -8.636   3.626   0.862
  111    H    ILE  21           H        ILE  21  -4.772   2.393   0.839
  112    HA   ILE  21           HA       ILE  21  -3.652   0.683  -1.300
  113    HB   ILE  21           HB       ILE  21  -3.526   3.703  -1.191
  114   1HG1  ILE  21          2HG1      ILE  21  -5.009   1.891  -3.110
  115   2HG1  ILE  21          1HG1      ILE  21  -5.758   2.813  -1.812
  116   1HG2  ILE  21          1HG2      ILE  21  -2.226   1.661  -2.930
  117   2HG2  ILE  21          2HG2      ILE  21  -1.570   3.157  -2.265
  118   3HG2  ILE  21          3HG2      ILE  21  -2.687   3.214  -3.628
  119   1HD1  ILE  21          1HD1      ILE  21  -6.101   4.363  -3.373
  120   2HD1  ILE  21          2HD1      ILE  21  -4.913   3.654  -4.467
  121   3HD1  ILE  21          3HD1      ILE  21  -4.389   4.741  -3.181
  122    H    CYS  22           H        CYS  22  -1.562   0.093  -1.074
  123    HA   CYS  22           HA       CYS  22  -0.181   0.844   1.339
  124   1HB   CYS  22          2HB       CYS  22   0.837  -0.862  -0.936
  125   2HB   CYS  22          1HB       CYS  22   1.437  -0.826   0.721
  126    H    THR  23           H        THR  23   1.335   2.363   1.562
  127    HA   THR  23           HA       THR  23   2.463   3.570  -0.899
  128    HB   THR  23           HB       THR  23   2.531   5.726   0.288
  129    HG1  THR  23           1HG      THR  23   0.789   5.061   2.291
  130   1HG2  THR  23          1HG2      THR  23   0.614   5.738  -0.961
  131   2HG2  THR  23          2HG2      THR  23  -0.108   5.849   0.644
  132   3HG2  THR  23          3HG2      THR  23  -0.033   4.293  -0.184
  133    H    ARG  24           H        ARG  24   4.604   4.232  -0.858
  134    HA   ARG  24           HA       ARG  24   6.226   3.027   1.253
  135   1HB   ARG  24          2HB       ARG  24   6.664   3.702  -1.562
  136   2HB   ARG  24          1HB       ARG  24   7.975   4.238  -0.523
  137   1HG   ARG  24          2HG       ARG  24   6.965   1.444  -0.944
  138   2HG   ARG  24          1HG       ARG  24   8.571   2.092  -1.277
  139   1HD   ARG  24          2HD       ARG  24   7.312   1.597   1.417
  140   2HD   ARG  24          1HD       ARG  24   8.693   0.763   0.714
  141    HE   ARG  24           HE       ARG  24   8.718   3.231   2.159
  142   1HH1  ARG  24          1HH1      ARG  24  10.377   1.482  -0.397
  143   2HH1  ARG  24          2HH1      ARG  24  11.850   2.367  -0.203
  144   1HH2  ARG  24          1HH2      ARG  24  10.605   4.378   2.418
  145   2HH2  ARG  24          2HH2      ARG  24  11.990   4.033   1.417
  146    H    ASP  25           H        ASP  25   5.998   4.369   2.945
  147    HA   ASP  25           HA       ASP  25   6.273   6.164   4.288
  148   1HB   ASP  25          2HB       ASP  25   8.218   7.044   2.137
  149   2HB   ASP  25          1HB       ASP  25   8.085   7.770   3.734
  150    H    GLY  26           H        GLY  26   4.113   6.154   2.499
  151   1HA   GLY  26          2HA       GLY  26   2.401   7.800   2.399
  152   2HA   GLY  26          1HA       GLY  26   3.639   9.042   2.339
  153    H    LEU  27           H        LEU  27   5.012   7.238   0.216
  154    HA   LEU  27           HA       LEU  27   3.629   8.487  -2.006
  155   1HB   LEU  27          2HB       LEU  27   6.134   8.559  -1.675
  156   2HB   LEU  27          1HB       LEU  27   6.159   6.855  -2.080
  157    HG   LEU  27           HG       LEU  27   5.287   7.353  -4.313
  158   1HD1  LEU  27          1HD1      LEU  27   4.301   9.640  -3.234
  159   2HD1  LEU  27          2HD1      LEU  27   4.482   9.345  -4.964
  160   3HD1  LEU  27          3HD1      LEU  27   5.720  10.246  -4.089
  161   1HD2  LEU  27          1HD2      LEU  27   7.328   9.093  -4.801
  162   2HD2  LEU  27          2HD2      LEU  27   7.503   7.345  -4.650
  163   3HD2  LEU  27          3HD2      LEU  27   7.816   8.386  -3.261
  164    HA   PRO  28           HA       PRO  28   1.514   4.574  -2.704
  165   1HB   PRO  28          2HB       PRO  28   0.134   5.985  -4.851
  166   2HB   PRO  28          1HB       PRO  28  -0.518   5.331  -3.347
  167   1HG   PRO  28          2HG       PRO  28  -0.319   7.990  -3.821
  168   2HG   PRO  28          1HG       PRO  28  -0.183   7.290  -2.197
  169   1HD   PRO  28          2HD       PRO  28   1.984   8.208  -4.053
  170   2HD   PRO  28          1HD       PRO  28   1.829   8.440  -2.297
  171    H    VAL  29           H        VAL  29   4.073   4.743  -3.847
  172    HA   VAL  29           HA       VAL  29   3.623   4.036  -6.663
  173    HB   VAL  29           HB       VAL  29   6.093   4.178  -6.913
  174   1HG1  VAL  29          1HG1      VAL  29   4.244   6.337  -6.440
  175   2HG1  VAL  29          2HG1      VAL  29   5.523   6.195  -7.646
  176   3HG1  VAL  29          3HG1      VAL  29   5.893   6.816  -6.037
  177   1HG2  VAL  29          1HG2      VAL  29   6.434   3.772  -4.386
  178   2HG2  VAL  29          2HG2      VAL  29   6.192   5.513  -4.232
  179   3HG2  VAL  29          3HG2      VAL  29   7.517   4.890  -5.217
  Start of MODEL   10
    1   1H    CYS   1           H        CYS   1   3.312   2.155  -3.892
    2    HA   CYS   1           HA       CYS   1   5.074  -0.096  -4.127
    3   1HB   CYS   1          2HB       CYS   1   2.420   0.155  -2.697
    4   2HB   CYS   1          1HB       CYS   1   3.595  -1.132  -2.485
    5    H    GLY   2           H        GLY   2   2.080   0.961  -5.492
    6   1HA   GLY   2          2HA       GLY   2   0.793   0.116  -7.192
    7   2HA   GLY   2          1HA       GLY   2   2.116  -0.988  -7.534
    8    H    GLU   3           H        GLU   3   0.332  -0.759  -4.509
    9    HA   GLU   3           HA       GLU   3  -1.198  -3.139  -5.109
   10   1HB   GLU   3          2HB       GLU   3   0.940  -4.052  -4.292
   11   2HB   GLU   3          1HB       GLU   3   0.792  -3.089  -2.827
   12   1HG   GLU   3          2HG       GLU   3   0.158  -5.445  -2.504
   13   2HG   GLU   3          1HG       GLU   3  -1.155  -4.323  -2.148
   14    H    THR   4           H        THR   4  -2.899  -3.502  -3.650
   15    HA   THR   4           HA       THR   4  -3.548  -1.145  -2.005
   16    HB   THR   4           HB       THR   4  -5.921  -1.883  -2.261
   17    HG1  THR   4           1HG      THR   4  -4.669  -3.958  -3.557
   18   1HG2  THR   4          1HG2      THR   4  -4.285  -1.097  -4.659
   19   2HG2  THR   4          2HG2      THR   4  -5.289  -0.078  -3.627
   20   3HG2  THR   4          3HG2      THR   4  -6.042  -1.224  -4.735
   21    H    CYS   5           H        CYS   5  -4.415  -1.448   0.053
   22    HA   CYS   5           HA       CYS   5  -4.103  -4.165   1.113
   23   1HB   CYS   5          2HB       CYS   5  -3.510  -3.174   3.272
   24   2HB   CYS   5          1HB       CYS   5  -2.393  -2.687   2.007
   25    H    PHE   6           H        PHE   6  -6.419  -3.861   0.052
   26    HA   PHE   6           HA       PHE   6  -8.468  -2.596   1.445
   27   1HB   PHE   6          2HB       PHE   6  -8.388  -5.029  -0.309
   28   2HB   PHE   6          1HB       PHE   6  -9.877  -4.597   0.521
   29    HD1  PHE   6           1HD      PHE   6 -11.370  -3.654  -0.918
   30    HD2  PHE   6           2HD      PHE   6  -7.260  -2.620  -1.279
   31    HE1  PHE   6           1HE      PHE   6 -11.929  -2.079  -2.722
   32    HE2  PHE   6           2HE      PHE   6  -7.812  -1.040  -3.081
   33    HZ   PHE   6           HZ       PHE   6 -10.150  -0.768  -3.806
   34    H    GLY   7           H        GLY   7  -6.866  -5.663   2.052
   35   1HA   GLY   7          2HA       GLY   7  -8.629  -6.108   4.364
   36   2HA   GLY   7          1HA       GLY   7  -7.607  -7.326   3.614
   37    H    GLY   8           H        GLY   8  -6.228  -4.211   4.051
   38   1HA   GLY   8          2HA       GLY   8  -4.643  -3.401   5.505
   39   2HA   GLY   8          1HA       GLY   8  -5.249  -4.541   6.699
   40    H    THR   9           H        THR   9  -3.777  -5.080   3.518
   41    HA   THR   9           HA       THR   9  -1.410  -6.171   4.764
   42    HB   THR   9           HB       THR   9  -2.910  -8.103   4.754
   43    HG1  THR   9           1HG      THR   9  -1.210  -9.242   4.264
   44   1HG2  THR   9          1HG2      THR   9  -3.772  -7.074   2.284
   45   2HG2  THR   9          2HG2      THR   9  -4.333  -8.536   3.096
   46   3HG2  THR   9          3HG2      THR   9  -3.011  -8.626   1.931
   47    H    CYS  10           H        CYS  10   0.373  -6.149   3.436
   48    HA   CYS  10           HA       CYS  10  -0.012  -5.314   0.648
   49   1HB   CYS  10          2HB       CYS  10   1.941  -4.044   2.584
   50   2HB   CYS  10          1HB       CYS  10   1.785  -3.654   0.876
   51    H    ASN  11           H        ASN  11   1.211  -6.472  -0.721
   52    HA   ASN  11           HA       ASN  11   3.028  -8.434   0.336
   53   1HB   ASN  11          2HB       ASN  11   3.366  -9.050  -2.081
   54   2HB   ASN  11          1HB       ASN  11   1.700  -9.137  -1.526
   55   1HD2  ASN  11          1HD2      ASN  11   0.313  -8.413  -2.934
   56   2HD2  ASN  11          2HD2      ASN  11   0.550  -7.125  -4.067
   57    H    THR  12           H        THR  12   3.260  -5.301  -1.119
   58    HA   THR  12           HA       THR  12   5.993  -5.417  -1.863
   59    HB   THR  12           HB       THR  12   4.625  -2.864  -1.122
   60    HG1  THR  12           1HG      THR  12   3.900  -4.645  -3.205
   61   1HG2  THR  12          1HG2      THR  12   5.762  -2.825  -3.706
   62   2HG2  THR  12          2HG2      THR  12   6.904  -3.676  -2.664
   63   3HG2  THR  12          3HG2      THR  12   6.374  -2.046  -2.247
   64    HA   PRO  13           HA       PRO  13   7.570  -5.158   2.312
   65   1HB   PRO  13          2HB       PRO  13  10.199  -4.954   1.648
   66   2HB   PRO  13          1HB       PRO  13   9.308  -6.479   1.617
   67   1HG   PRO  13          2HG       PRO  13  10.001  -4.642  -0.639
   68   2HG   PRO  13          1HG       PRO  13  10.052  -6.414  -0.581
   69   1HD   PRO  13          2HD       PRO  13   8.026  -5.044  -1.751
   70   2HD   PRO  13          1HD       PRO  13   7.791  -6.616  -0.962
   71    H    GLY  14           H        GLY  14   7.888  -3.536   3.661
   72   1HA   GLY  14          2HA       GLY  14   8.515  -1.480   4.488
   73   2HA   GLY  14          1HA       GLY  14   9.348  -1.170   2.974
   74    H    CYS  15           H        CYS  15   5.988  -2.056   2.950
   75    HA   CYS  15           HA       CYS  15   5.352   0.716   2.237
   76   1HB   CYS  15          2HB       CYS  15   4.212  -1.887   1.245
   77   2HB   CYS  15          1HB       CYS  15   3.389  -0.351   1.006
   78    H    SER  16           H        SER  16   3.953   1.784   3.422
   79    HA   SER  16           HA       SER  16   2.692   0.493   5.685
   80   1HB   SER  16          2HB       SER  16   3.826   2.726   5.865
   81   2HB   SER  16          1HB       SER  16   2.579   3.397   4.816
   82    HG   SER  16           HG       SER  16   2.434   3.335   7.343
   83    H    CYS  17           H        CYS  17   0.487   0.253   5.949
   84    HA   CYS  17           HA       CYS  17  -1.027   0.231   3.501
   85   1HB   CYS  17          2HB       CYS  17  -1.319  -1.676   4.908
   86   2HB   CYS  17          1HB       CYS  17  -1.691  -0.671   6.304
   87    H    THR  18           H        THR  18  -1.508   2.279   2.904
   88    HA   THR  18           HA       THR  18  -2.923   4.007   4.786
   89    HB   THR  18           HB       THR  18  -2.171   4.622   1.915
   90    HG1  THR  18           1HG      THR  18  -0.636   4.476   4.181
   91   1HG2  THR  18          1HG2      THR  18  -2.180   6.912   3.570
   92   2HG2  THR  18          2HG2      THR  18  -3.660   6.023   3.927
   93   3HG2  THR  18          3HG2      THR  18  -3.304   6.514   2.271
   94    H    TRP  19           H        TRP  19  -4.437   2.181   4.754
   95    HA   TRP  19           HA       TRP  19  -5.959   1.009   3.032
   96   1HB   TRP  19          2HB       TRP  19  -6.307   1.228   5.562
   97   2HB   TRP  19          1HB       TRP  19  -7.399   2.554   5.172
   98    HD1  TRP  19           HD       TRP  19  -6.993  -1.175   4.153
   99    HE1  TRP  19           1HE      TRP  19  -9.346  -2.196   3.917
  100    HE3  TRP  19           3HE      TRP  19  -9.779   3.002   5.112
  101    HZ2  TRP  19           2HZ      TRP  19 -12.027  -1.334   4.105
  102    HZ3  TRP  19           3HZ      TRP  19 -12.232   2.819   5.060
  103    HH2  TRP  19           HH       TRP  19 -13.332   0.696   4.567
  104    HA   PRO  20           HA       PRO  20  -6.856   0.314   1.890
  105   1HB   PRO  20          2HB       PRO  20  -8.136  -0.176  -0.395
  106   2HB   PRO  20          1HB       PRO  20  -9.028   0.198   1.085
  107   1HG   PRO  20          2HG       PRO  20  -8.613   1.856  -1.324
  108   2HG   PRO  20          1HG       PRO  20  -9.895   1.945  -0.105
  109   1HD   PRO  20          2HD       PRO  20  -7.456   3.509  -0.289
  110   2HD   PRO  20          1HD       PRO  20  -8.809   3.695   0.848
  111    H    ILE  21           H        ILE  21  -4.914   2.442   0.837
  112    HA   ILE  21           HA       ILE  21  -3.806   0.807  -1.367
  113    HB   ILE  21           HB       ILE  21  -3.628   3.817  -1.131
  114   1HG1  ILE  21          2HG1      ILE  21  -5.152   2.119  -3.121
  115   2HG1  ILE  21          1HG1      ILE  21  -5.880   2.998  -1.782
  116   1HG2  ILE  21          1HG2      ILE  21  -2.886   2.381  -3.614
  117   2HG2  ILE  21          2HG2      ILE  21  -1.765   2.280  -2.257
  118   3HG2  ILE  21          3HG2      ILE  21  -2.218   3.855  -2.912
  119   1HD1  ILE  21          1HD1      ILE  21  -4.494   4.151  -4.187
  120   2HD1  ILE  21          2HD1      ILE  21  -4.999   5.101  -2.789
  121   3HD1  ILE  21          3HD1      ILE  21  -6.203   4.264  -3.767
  122    H    CYS  22           H        CYS  22  -1.704   0.213  -1.189
  123    HA   CYS  22           HA       CYS  22  -0.336   0.790   1.279
  124   1HB   CYS  22          2HB       CYS  22   0.653  -0.750  -1.130
  125   2HB   CYS  22          1HB       CYS  22   1.341  -0.783   0.491
  126    H    THR  23           H        THR  23   1.282   2.208   1.619
  127    HA   THR  23           HA       THR  23   2.460   3.567  -0.736
  128    HB   THR  23           HB       THR  23   2.556   5.653   0.623
  129    HG1  THR  23           1HG      THR  23   0.610   4.990   2.400
  130   1HG2  THR  23          1HG2      THR  23  -0.332   4.952   0.661
  131   2HG2  THR  23          2HG2      THR  23   0.510   4.810  -0.883
  132   3HG2  THR  23          3HG2      THR  23   0.484   6.354  -0.032
  133    H    ARG  24           H        ARG  24   4.630   3.862  -0.684
  134    HA   ARG  24           HA       ARG  24   6.060   2.788   1.636
  135   1HB   ARG  24          2HB       ARG  24   6.646   1.992  -0.703
  136   2HB   ARG  24          1HB       ARG  24   7.232   3.621  -1.029
  137   1HG   ARG  24          2HG       ARG  24   8.658   3.257   1.101
  138   2HG   ARG  24          1HG       ARG  24   8.333   1.550   0.814
  139   1HD   ARG  24          2HD       ARG  24   9.399   1.615  -1.306
  140   2HD   ARG  24          1HD       ARG  24   9.474   3.379  -1.287
  141    HE   ARG  24           HE       ARG  24  11.381   1.620  -0.191
  142   1HH1  ARG  24          1HH1      ARG  24   9.788   4.660   0.445
  143   2HH1  ARG  24          2HH1      ARG  24  10.949   5.196   1.624
  144   1HH2  ARG  24          1HH2      ARG  24  12.983   2.356   1.310
  145   2HH2  ARG  24          2HH2      ARG  24  12.784   3.902   2.070
  146    H    ASP  25           H        ASP  25   6.329   4.309   3.122
  147    HA   ASP  25           HA       ASP  25   6.845   6.251   4.155
  148   1HB   ASP  25          2HB       ASP  25   8.477   6.692   1.644
  149   2HB   ASP  25          1HB       ASP  25   8.531   7.760   3.041
  150    H    GLY  26           H        GLY  26   4.450   6.065   2.655
  151   1HA   GLY  26          2HA       GLY  26   2.715   7.645   2.510
  152   2HA   GLY  26          1HA       GLY  26   3.916   8.916   2.354
  153    H    LEU  27           H        LEU  27   5.136   6.914   0.227
  154    HA   LEU  27           HA       LEU  27   3.652   8.126  -1.961
  155   1HB   LEU  27          2HB       LEU  27   6.291   6.682  -1.867
  156   2HB   LEU  27          1HB       LEU  27   5.545   7.238  -3.355
  157    HG   LEU  27           HG       LEU  27   6.268   9.058  -1.074
  158   1HD1  LEU  27          1HD1      LEU  27   7.926   7.851  -3.127
  159   2HD1  LEU  27          2HD1      LEU  27   8.392   8.780  -1.701
  160   3HD1  LEU  27          3HD1      LEU  27   7.953   9.614  -3.193
  161   1HD2  LEU  27          1HD2      LEU  27   5.821   9.832  -3.929
  162   2HD2  LEU  27          2HD2      LEU  27   5.745  10.832  -2.478
  163   3HD2  LEU  27          3HD2      LEU  27   4.466   9.664  -2.812
  164    HA   PRO  28           HA       PRO  28   1.559   4.211  -2.540
  165   1HB   PRO  28          2HB       PRO  28  -0.029   5.028  -4.570
  166   2HB   PRO  28          1HB       PRO  28  -0.333   5.479  -2.889
  167   1HG   PRO  28          2HG       PRO  28   0.977   7.062  -5.068
  168   2HG   PRO  28          1HG       PRO  28  -0.209   7.590  -3.860
  169   1HD   PRO  28          2HD       PRO  28   2.461   8.062  -3.621
  170   2HD   PRO  28          1HD       PRO  28   1.387   7.852  -2.225
  171    H    VAL  29           H        VAL  29   4.186   4.607  -3.686
  172    HA   VAL  29           HA       VAL  29   3.942   3.801  -6.472
  173    HB   VAL  29           HB       VAL  29   6.517   3.977  -4.954
  174   1HG1  VAL  29          1HG1      VAL  29   7.526   3.808  -6.940
  175   2HG1  VAL  29          2HG1      VAL  29   6.409   4.941  -7.701
  176   3HG1  VAL  29          3HG1      VAL  29   5.965   3.242  -7.534
  177   1HG2  VAL  29          1HG2      VAL  29   5.488   6.066  -4.473
  178   2HG2  VAL  29          2HG2      VAL  29   4.938   6.244  -6.139
  179   3HG2  VAL  29          3HG2      VAL  29   6.658   6.348  -5.762
  Start of MODEL   11
    1   1H    CYS   1           H        CYS   1   3.330   2.274  -3.983
    2    HA   CYS   1           HA       CYS   1   5.208   0.142  -4.377
    3   1HB   CYS   1          2HB       CYS   1   2.683   0.283  -2.719
    4   2HB   CYS   1          1HB       CYS   1   3.868  -1.011  -2.659
    5    H    GLY   2           H        GLY   2   2.093   1.021  -5.577
    6   1HA   GLY   2          2HA       GLY   2   0.736   0.046  -7.159
    7   2HA   GLY   2          1HA       GLY   2   2.089  -1.012  -7.546
    8    H    GLU   3           H        GLU   3   0.412  -0.643  -4.476
    9    HA   GLU   3           HA       GLU   3  -0.857  -3.244  -4.760
   10   1HB   GLU   3          2HB       GLU   3   1.255  -3.877  -3.818
   11   2HB   GLU   3          1HB       GLU   3   1.205  -2.557  -2.660
   12   1HG   GLU   3          2HG       GLU   3   0.753  -4.614  -1.528
   13   2HG   GLU   3          1HG       GLU   3  -0.716  -3.642  -1.556
   14    H    THR   4           H        THR   4  -2.627  -3.511  -3.454
   15    HA   THR   4           HA       THR   4  -3.449  -1.129  -1.924
   16    HB   THR   4           HB       THR   4  -5.791  -1.900  -2.311
   17    HG1  THR   4           1HG      THR   4  -4.493  -3.995  -3.419
   18   1HG2  THR   4          1HG2      THR   4  -5.763  -1.263  -4.815
   19   2HG2  THR   4          2HG2      THR   4  -4.027  -1.055  -4.590
   20   3HG2  THR   4          3HG2      THR   4  -5.160  -0.088  -3.647
   21    H    CYS   5           H        CYS   5  -4.361  -1.454   0.096
   22    HA   CYS   5           HA       CYS   5  -4.121  -4.195   1.111
   23   1HB   CYS   5          2HB       CYS   5  -3.485  -3.261   3.289
   24   2HB   CYS   5          1HB       CYS   5  -2.348  -2.822   2.022
   25    H    PHE   6           H        PHE   6  -6.439  -3.795   0.090
   26    HA   PHE   6           HA       PHE   6  -8.413  -2.489   1.571
   27   1HB   PHE   6          2HB       PHE   6  -8.493  -4.885  -0.249
   28   2HB   PHE   6          1HB       PHE   6  -9.942  -4.335   0.584
   29    HD1  PHE   6           1HD      PHE   6 -11.350  -3.138  -0.742
   30    HD2  PHE   6           2HD      PHE   6  -7.157  -2.690  -1.301
   31    HE1  PHE   6           1HE      PHE   6 -11.768  -1.503  -2.530
   32    HE2  PHE   6           2HE      PHE   6  -7.567  -1.051  -3.090
   33    HZ   PHE   6           HZ       PHE   6  -9.875  -0.455  -3.706
   34    H    GLY   7           H        GLY   7  -6.867  -5.601   2.031
   35   1HA   GLY   7          2HA       GLY   7  -8.592  -6.101   4.364
   36   2HA   GLY   7          1HA       GLY   7  -7.634  -7.318   3.532
   37    H    GLY   8           H        GLY   8  -6.163  -4.258   4.076
   38   1HA   GLY   8          2HA       GLY   8  -4.517  -3.552   5.513
   39   2HA   GLY   8          1HA       GLY   8  -5.107  -4.740   6.667
   40    H    THR   9           H        THR   9  -3.751  -5.187   3.418
   41    HA   THR   9           HA       THR   9  -1.345  -6.321   4.542
   42    HB   THR   9           HB       THR   9  -2.894  -8.234   4.546
   43    HG1  THR   9           1HG      THR   9  -1.332  -9.519   3.873
   44   1HG2  THR   9          1HG2      THR   9  -3.863  -7.185   2.186
   45   2HG2  THR   9          2HG2      THR   9  -4.249  -8.773   2.847
   46   3HG2  THR   9          3HG2      THR   9  -2.959  -8.604   1.656
   47    H    CYS  10           H        CYS  10   0.382  -6.296   3.138
   48    HA   CYS  10           HA       CYS  10  -0.104  -5.365   0.391
   49   1HB   CYS  10          2HB       CYS  10   2.036  -4.263   2.229
   50   2HB   CYS  10          1HB       CYS  10   1.708  -3.752   0.578
   51    H    ASN  11           H        ASN  11   1.073  -6.464  -1.105
   52    HA   ASN  11           HA       ASN  11   2.675  -8.664  -0.302
   53   1HB   ASN  11          2HB       ASN  11   2.968  -9.146  -2.599
   54   2HB   ASN  11          1HB       ASN  11   1.367  -8.433  -2.486
   55   1HD2  ASN  11          1HD2      ASN  11   0.897  -6.751  -3.735
   56   2HD2  ASN  11          2HD2      ASN  11   2.043  -5.885  -4.711
   57    H    THR  12           H        THR  12   3.410  -5.389  -1.292
   58    HA   THR  12           HA       THR  12   6.245  -5.836  -1.450
   59    HB   THR  12           HB       THR  12   4.921  -3.143  -1.246
   60    HG1  THR  12           1HG      THR  12   4.695  -5.070  -3.252
   61   1HG2  THR  12          1HG2      THR  12   7.024  -3.606  -3.224
   62   2HG2  THR  12          2HG2      THR  12   7.546  -3.906  -1.566
   63   3HG2  THR  12          3HG2      THR  12   6.875  -2.336  -2.008
   64    HA   PRO  13           HA       PRO  13   6.684  -5.380   2.996
   65   1HB   PRO  13          2HB       PRO  13   9.353  -5.843   3.075
   66   2HB   PRO  13          1HB       PRO  13   8.163  -7.138   2.901
   67   1HG   PRO  13          2HG       PRO  13   9.840  -5.809   0.811
   68   2HG   PRO  13          1HG       PRO  13   9.442  -7.527   1.004
   69   1HD   PRO  13          2HD       PRO  13   8.183  -5.897  -0.777
   70   2HD   PRO  13          1HD       PRO  13   7.397  -7.294  -0.017
   71    H    GLY  14           H        GLY  14   7.079  -3.628   4.215
   72   1HA   GLY  14          2HA       GLY  14   8.423  -1.768   4.890
   73   2HA   GLY  14          1HA       GLY  14   8.986  -1.620   3.232
   74    H    CYS  15           H        CYS  15   6.217  -1.991   2.226
   75    HA   CYS  15           HA       CYS  15   5.508   0.771   2.185
   76   1HB   CYS  15          2HB       CYS  15   4.110  -1.676   1.096
   77   2HB   CYS  15          1HB       CYS  15   3.552  -0.027   0.830
   78    H    SER  16           H        SER  16   4.169   1.849   3.433
   79    HA   SER  16           HA       SER  16   2.879   0.544   5.650
   80   1HB   SER  16          2HB       SER  16   4.013   2.764   5.856
   81   2HB   SER  16          1HB       SER  16   2.778   3.454   4.803
   82    HG   SER  16           HG       SER  16   2.631   3.343   7.344
   83    H    CYS  17           H        CYS  17   0.744   0.102   5.843
   84    HA   CYS  17           HA       CYS  17  -0.833   0.192   3.457
   85   1HB   CYS  17          2HB       CYS  17  -1.092  -1.763   4.786
   86   2HB   CYS  17          1HB       CYS  17  -1.395  -0.821   6.244
   87    H    THR  18           H        THR  18  -1.295   2.275   2.952
   88    HA   THR  18           HA       THR  18  -2.696   3.937   4.897
   89    HB   THR  18           HB       THR  18  -2.036   4.632   2.023
   90    HG1  THR  18           1HG      THR  18  -0.400   4.389   4.223
   91   1HG2  THR  18          1HG2      THR  18  -3.692   6.066   3.169
   92   2HG2  THR  18          2HG2      THR  18  -2.199   6.935   2.808
   93   3HG2  THR  18          3HG2      THR  18  -2.517   6.372   4.450
   94    H    TRP  19           H        TRP  19  -4.242   2.142   4.873
   95    HA   TRP  19           HA       TRP  19  -5.798   1.004   3.157
   96   1HB   TRP  19          2HB       TRP  19  -6.116   1.192   5.690
   97   2HB   TRP  19          1HB       TRP  19  -7.188   2.542   5.334
   98    HD1  TRP  19           HD       TRP  19  -6.864  -1.184   4.277
   99    HE1  TRP  19           1HE      TRP  19  -9.238  -2.154   4.044
  100    HE3  TRP  19           3HE      TRP  19  -9.560   3.043   5.279
  101    HZ2  TRP  19           2HZ      TRP  19 -11.900  -1.239   4.251
  102    HZ3  TRP  19           3HZ      TRP  19 -12.017   2.911   5.237
  103    HH2  TRP  19           HH       TRP  19 -13.161   0.814   4.734
  104    HA   PRO  20           HA       PRO  20  -6.720   0.327   2.021
  105   1HB   PRO  20          2HB       PRO  20  -8.041  -0.130  -0.247
  106   2HB   PRO  20          1HB       PRO  20  -8.904   0.243   1.250
  107   1HG   PRO  20          2HG       PRO  20  -8.506   1.915  -1.153
  108   2HG   PRO  20          1HG       PRO  20  -9.769   2.009   0.085
  109   1HD   PRO  20          2HD       PRO  20  -7.315   3.547  -0.121
  110   2HD   PRO  20          1HD       PRO  20  -8.649   3.738   1.036
  111    H    ILE  21           H        ILE  21  -4.795   2.470   0.931
  112    HA   ILE  21           HA       ILE  21  -3.710   0.819  -1.271
  113    HB   ILE  21           HB       ILE  21  -3.553   3.833  -1.081
  114   1HG1  ILE  21          2HG1      ILE  21  -5.095   2.095  -3.023
  115   2HG1  ILE  21          1HG1      ILE  21  -5.808   2.989  -1.685
  116   1HG2  ILE  21          1HG2      ILE  21  -1.579   3.035  -2.130
  117   2HG2  ILE  21          2HG2      ILE  21  -2.643   3.601  -3.418
  118   3HG2  ILE  21          3HG2      ILE  21  -2.484   1.873  -3.101
  119   1HD1  ILE  21          1HD1      ILE  21  -5.144   3.873  -4.335
  120   2HD1  ILE  21          2HD1      ILE  21  -4.350   4.876  -3.121
  121   3HD1  ILE  21          3HD1      ILE  21  -6.102   4.672  -3.088
  122    H    CYS  22           H        CYS  22  -1.622   0.212  -1.084
  123    HA   CYS  22           HA       CYS  22  -0.214   0.874   1.339
  124   1HB   CYS  22          2HB       CYS  22   0.778  -0.745  -1.010
  125   2HB   CYS  22          1HB       CYS  22   1.390  -0.775   0.642
  126    H    THR  23           H        THR  23   1.319   2.374   1.603
  127    HA   THR  23           HA       THR  23   2.432   3.647  -0.829
  128    HB   THR  23           HB       THR  23   2.575   5.756   0.436
  129    HG1  THR  23           1HG      THR  23   0.850   5.030   2.447
  130   1HG2  THR  23          1HG2      THR  23   0.609   5.483  -0.911
  131   2HG2  THR  23          2HG2      THR  23   0.117   6.216   0.617
  132   3HG2  THR  23          3HG2      THR  23  -0.170   4.499   0.329
  133    H    ARG  24           H        ARG  24   4.574   4.181  -0.837
  134    HA   ARG  24           HA       ARG  24   6.222   2.899   1.217
  135   1HB   ARG  24          2HB       ARG  24   6.611   2.425  -1.239
  136   2HB   ARG  24          1HB       ARG  24   7.099   4.105  -1.418
  137   1HG   ARG  24          2HG       ARG  24   8.915   3.737   0.189
  138   2HG   ARG  24          1HG       ARG  24   8.437   2.042   0.320
  139   1HD   ARG  24          2HD       ARG  24  10.281   2.217  -1.213
  140   2HD   ARG  24          1HD       ARG  24   8.825   1.793  -2.113
  141    HE   ARG  24           HE       ARG  24   9.189   4.602  -2.078
  142   1HH1  ARG  24          1HH1      ARG  24  10.418   1.683  -3.559
  143   2HH1  ARG  24          2HH1      ARG  24  10.992   2.485  -4.984
  144   1HH2  ARG  24          1HH2      ARG  24   9.946   5.678  -3.956
  145   2HH2  ARG  24          2HH2      ARG  24  10.723   4.769  -5.210
  146    H    ASP  25           H        ASP  25   5.806   4.463   2.782
  147    HA   ASP  25           HA       ASP  25   6.280   6.272   4.045
  148   1HB   ASP  25          2HB       ASP  25   8.634   5.886   3.165
  149   2HB   ASP  25          1HB       ASP  25   8.294   7.120   1.956
  150    H    GLY  26           H        GLY  26   4.065   6.407   2.617
  151   1HA   GLY  26          2HA       GLY  26   2.528   8.155   2.319
  152   2HA   GLY  26          1HA       GLY  26   3.866   9.256   2.049
  153    H    LEU  27           H        LEU  27   5.013   7.289   0.027
  154    HA   LEU  27           HA       LEU  27   3.426   8.303  -2.184
  155   1HB   LEU  27          2HB       LEU  27   6.130   6.991  -2.061
  156   2HB   LEU  27          1HB       LEU  27   5.333   7.400  -3.569
  157    HG   LEU  27           HG       LEU  27   6.001   9.411  -1.434
  158   1HD1  LEU  27          1HD1      LEU  27   8.100   8.694  -2.169
  159   2HD1  LEU  27          2HD1      LEU  27   7.754  10.099  -3.176
  160   3HD1  LEU  27          3HD1      LEU  27   7.543   8.474  -3.829
  161   1HD2  LEU  27          1HD2      LEU  27   5.795  10.856  -3.632
  162   2HD2  LEU  27          2HD2      LEU  27   4.380  10.442  -2.664
  163   3HD2  LEU  27          3HD2      LEU  27   4.749   9.525  -4.124
  164    HA   PRO  28           HA       PRO  28   1.511   4.258  -2.533
  165   1HB   PRO  28          2HB       PRO  28  -0.246   4.946  -4.466
  166   2HB   PRO  28          1HB       PRO  28  -0.470   5.416  -2.777
  167   1HG   PRO  28          2HG       PRO  28   0.608   7.021  -5.064
  168   2HG   PRO  28          1HG       PRO  28  -0.530   7.508  -3.794
  169   1HD   PRO  28          2HD       PRO  28   2.123   8.130  -3.737
  170   2HD   PRO  28          1HD       PRO  28   1.148   7.903  -2.272
  171    H    VAL  29           H        VAL  29   4.026   4.804  -3.822
  172    HA   VAL  29           HA       VAL  29   3.707   3.986  -6.594
  173    HB   VAL  29           HB       VAL  29   6.171   4.169  -6.715
  174   1HG1  VAL  29          1HG1      VAL  29   5.315   6.690  -5.397
  175   2HG1  VAL  29          2HG1      VAL  29   4.409   6.143  -6.808
  176   3HG1  VAL  29          3HG1      VAL  29   6.144   6.439  -6.935
  177   1HG2  VAL  29          1HG2      VAL  29   6.501   5.535  -4.169
  178   2HG2  VAL  29          2HG2      VAL  29   7.500   4.293  -4.923
  179   3HG2  VAL  29          3HG2      VAL  29   6.087   3.832  -3.975
  Start of MODEL   12
    1   1H    CYS   1           H        CYS   1   3.167   2.411  -4.079
    2    HA   CYS   1           HA       CYS   1   5.081   0.328  -4.548
    3   1HB   CYS   1          2HB       CYS   1   2.599   0.435  -2.829
    4   2HB   CYS   1          1HB       CYS   1   3.731  -0.905  -2.858
    5    H    GLY   2           H        GLY   2   1.875   1.109  -5.617
    6   1HA   GLY   2          2HA       GLY   2   0.510   0.111  -7.182
    7   2HA   GLY   2          1HA       GLY   2   1.889  -0.885  -7.638
    8    H    GLU   3           H        GLU   3   0.551  -0.666  -4.439
    9    HA   GLU   3           HA       GLU   3  -0.589  -3.356  -4.655
   10   1HB   GLU   3          2HB       GLU   3   1.570  -3.679  -3.659
   11   2HB   GLU   3          1HB       GLU   3   1.342  -2.317  -2.575
   12   1HG   GLU   3          2HG       GLU   3   1.126  -4.351  -1.341
   13   2HG   GLU   3          1HG       GLU   3  -0.447  -3.565  -1.431
   14    H    THR   4           H        THR   4  -2.361  -3.734  -3.357
   15    HA   THR   4           HA       THR   4  -3.465  -1.351  -2.014
   16    HB   THR   4           HB       THR   4  -5.703  -2.316  -2.427
   17    HG1  THR   4           1HG      THR   4  -4.182  -4.414  -3.320
   18   1HG2  THR   4          1HG2      THR   4  -4.883  -0.633  -3.957
   19   2HG2  THR   4          2HG2      THR   4  -5.766  -1.858  -4.868
   20   3HG2  THR   4          3HG2      THR   4  -4.002  -1.850  -4.880
   21    H    CYS   5           H        CYS   5  -4.463  -1.616  -0.020
   22    HA   CYS   5           HA       CYS   5  -4.094  -4.248   1.223
   23   1HB   CYS   5          2HB       CYS   5  -3.501  -3.145   3.330
   24   2HB   CYS   5          1HB       CYS   5  -2.360  -2.762   2.049
   25    H    PHE   6           H        PHE   6  -6.403  -3.927   0.122
   26    HA   PHE   6           HA       PHE   6  -8.417  -2.556   1.482
   27   1HB   PHE   6          2HB       PHE   6  -8.447  -5.067  -0.179
   28   2HB   PHE   6          1HB       PHE   6  -9.916  -4.456   0.572
   29    HD1  PHE   6           1HD      PHE   6 -11.281  -3.376  -0.894
   30    HD2  PHE   6           2HD      PHE   6  -7.071  -2.929  -1.325
   31    HE1  PHE   6           1HE      PHE   6 -11.641  -1.870  -2.806
   32    HE2  PHE   6           2HE      PHE   6  -7.425  -1.420  -3.236
   33    HZ   PHE   6           HZ       PHE   6  -9.711  -0.890  -3.978
   34    H    GLY   7           H        GLY   7  -6.849  -5.610   2.173
   35   1HA   GLY   7          2HA       GLY   7  -8.635  -5.994   4.482
   36   2HA   GLY   7          1HA       GLY   7  -7.630  -7.244   3.757
   37    H    GLY   8           H        GLY   8  -6.216  -4.136   4.135
   38   1HA   GLY   8          2HA       GLY   8  -4.627  -3.308   5.572
   39   2HA   GLY   8          1HA       GLY   8  -5.236  -4.423   6.786
   40    H    THR   9           H        THR   9  -3.776  -5.062   3.614
   41    HA   THR   9           HA       THR   9  -1.393  -6.095   4.880
   42    HB   THR   9           HB       THR   9  -2.848  -8.045   4.972
   43    HG1  THR   9           1HG      THR   9  -1.208  -8.714   2.811
   44   1HG2  THR   9          1HG2      THR   9  -3.839  -7.101   2.525
   45   2HG2  THR   9          2HG2      THR   9  -4.323  -8.562   3.384
   46   3HG2  THR   9          3HG2      THR   9  -3.054  -8.638   2.163
   47    H    CYS  10           H        CYS  10   0.379  -6.134   3.527
   48    HA   CYS  10           HA       CYS  10  -0.047  -5.390   0.716
   49   1HB   CYS  10          2HB       CYS  10   2.043  -4.132   2.513
   50   2HB   CYS  10          1HB       CYS  10   1.724  -3.734   0.830
   51    H    ASN  11           H        ASN  11   1.103  -6.642  -0.642
   52    HA   ASN  11           HA       ASN  11   2.828  -8.675   0.393
   53   1HB   ASN  11          2HB       ASN  11   2.138  -7.808  -2.415
   54   2HB   ASN  11          1HB       ASN  11   3.251  -9.129  -2.076
   55   1HD2  ASN  11          1HD2      ASN  11   0.023  -8.182  -2.413
   56   2HD2  ASN  11          2HD2      ASN  11  -0.710  -9.688  -1.960
   57    H    THR  12           H        THR  12   3.285  -5.564  -1.145
   58    HA   THR  12           HA       THR  12   6.089  -5.853  -1.593
   59    HB   THR  12           HB       THR  12   4.662  -3.221  -1.274
   60    HG1  THR  12           1HG      THR  12   4.249  -5.213  -3.156
   61   1HG2  THR  12          1HG2      THR  12   6.308  -2.361  -2.689
   62   2HG2  THR  12          2HG2      THR  12   6.729  -3.953  -3.324
   63   3HG2  THR  12          3HG2      THR  12   7.205  -3.501  -1.686
   64    HA   PRO  13           HA       PRO  13   7.142  -5.302   2.732
   65   1HB   PRO  13          2HB       PRO  13   9.838  -5.448   2.395
   66   2HB   PRO  13          1HB       PRO  13   8.786  -6.867   2.426
   67   1HG   PRO  13          2HG       PRO  13   9.940  -5.414   0.079
   68   2HG   PRO  13          1HG       PRO  13   9.784  -7.159   0.350
   69   1HD   PRO  13          2HD       PRO  13   8.075  -5.769  -1.224
   70   2HD   PRO  13          1HD       PRO  13   7.570  -7.187  -0.284
   71    H    GLY  14           H        GLY  14   7.467  -3.521   3.904
   72   1HA   GLY  14          2HA       GLY  14   8.592  -1.519   4.485
   73   2HA   GLY  14          1HA       GLY  14   9.095  -1.347   2.811
   74    H    CYS  15           H        CYS  15   6.241  -2.001   2.009
   75    HA   CYS  15           HA       CYS  15   5.370   0.733   1.957
   76   1HB   CYS  15          2HB       CYS  15   4.093  -1.788   0.886
   77   2HB   CYS  15          1HB       CYS  15   3.469  -0.162   0.618
   78    H    SER  16           H        SER  16   4.156   1.691   3.385
   79    HA   SER  16           HA       SER  16   2.870   0.205   5.498
   80   1HB   SER  16          2HB       SER  16   4.119   2.344   5.904
   81   2HB   SER  16          1HB       SER  16   2.877   3.193   4.985
   82    HG   SER  16           HG       SER  16   2.784   2.882   7.473
   83    H    CYS  17           H        CYS  17   0.691  -0.061   5.745
   84    HA   CYS  17           HA       CYS  17  -0.901   0.204   3.397
   85   1HB   CYS  17          2HB       CYS  17  -1.294  -1.708   4.780
   86   2HB   CYS  17          1HB       CYS  17  -1.575  -0.701   6.197
   87    H    THR  18           H        THR  18  -1.779   1.985   2.754
   88    HA   THR  18           HA       THR  18  -2.879   3.870   4.717
   89    HB   THR  18           HB       THR  18  -2.091   4.530   1.868
   90    HG1  THR  18           1HG      THR  18  -0.519   4.129   4.057
   91   1HG2  THR  18          1HG2      THR  18  -2.080   6.578   3.992
   92   2HG2  THR  18          2HG2      THR  18  -3.667   5.931   3.577
   93   3HG2  THR  18          3HG2      THR  18  -2.664   6.673   2.331
   94    H    TRP  19           H        TRP  19  -4.455   2.096   4.610
   95    HA   TRP  19           HA       TRP  19  -5.998   0.986   2.912
   96   1HB   TRP  19          2HB       TRP  19  -6.408   1.342   5.427
   97   2HB   TRP  19          1HB       TRP  19  -7.460   2.661   4.927
   98    HD1  TRP  19           HD       TRP  19  -7.078  -1.122   4.118
   99    HE1  TRP  19           1HE      TRP  19  -9.435  -2.118   3.840
  100    HE3  TRP  19           3HE      TRP  19  -9.830   3.141   4.748
  101    HZ2  TRP  19           2HZ      TRP  19 -12.108  -1.208   3.876
  102    HZ3  TRP  19           3HZ      TRP  19 -12.282   2.992   4.607
  103    HH2  TRP  19           HH       TRP  19 -13.396   0.861   4.179
  104    HA   PRO  20           HA       PRO  20  -6.784   0.295   1.714
  105   1HB   PRO  20          2HB       PRO  20  -7.957  -0.222  -0.619
  106   2HB   PRO  20          1HB       PRO  20  -8.917   0.194   0.804
  107   1HG   PRO  20          2HG       PRO  20  -8.356   1.798  -1.611
  108   2HG   PRO  20          1HG       PRO  20  -9.700   1.925  -0.466
  109   1HD   PRO  20          2HD       PRO  20  -7.234   3.458  -0.545
  110   2HD   PRO  20          1HD       PRO  20  -8.645   3.681   0.511
  111    H    ILE  21           H        ILE  21  -4.894   2.518   0.584
  112    HA   ILE  21           HA       ILE  21  -3.648   0.834  -1.510
  113    HB   ILE  21           HB       ILE  21  -3.441   3.838  -1.229
  114   1HG1  ILE  21          2HG1      ILE  21  -5.688   3.128  -1.959
  115   2HG1  ILE  21          1HG1      ILE  21  -4.824   3.974  -3.237
  116   1HG2  ILE  21          1HG2      ILE  21  -2.700   2.845  -3.801
  117   2HG2  ILE  21          2HG2      ILE  21  -1.779   1.996  -2.561
  118   3HG2  ILE  21          3HG2      ILE  21  -1.735   3.757  -2.640
  119   1HD1  ILE  21          1HD1      ILE  21  -6.049   2.056  -4.092
  120   2HD1  ILE  21          2HD1      ILE  21  -5.148   0.990  -3.013
  121   3HD1  ILE  21          3HD1      ILE  21  -4.310   1.850  -4.306
  122    H    CYS  22           H        CYS  22  -1.567   0.198  -1.204
  123    HA   CYS  22           HA       CYS  22  -0.289   0.880   1.300
  124   1HB   CYS  22          2HB       CYS  22   0.752  -0.839  -0.962
  125   2HB   CYS  22          1HB       CYS  22   1.373  -0.781   0.685
  126    H    THR  23           H        THR  23   1.232   2.395   1.586
  127    HA   THR  23           HA       THR  23   2.387   3.639  -0.836
  128    HB   THR  23           HB       THR  23   2.607   5.714   0.480
  129    HG1  THR  23           1HG      THR  23   0.878   4.928   2.484
  130   1HG2  THR  23          1HG2      THR  23   0.022   6.006   0.883
  131   2HG2  THR  23          2HG2      THR  23  -0.064   4.443   0.070
  132   3HG2  THR  23          3HG2      THR  23   0.663   5.824  -0.750
  133    H    ARG  24           H        ARG  24   4.547   4.180  -0.855
  134    HA   ARG  24           HA       ARG  24   6.214   2.706   1.027
  135   1HB   ARG  24          2HB       ARG  24   6.595   2.603  -1.475
  136   2HB   ARG  24          1HB       ARG  24   7.068   4.295  -1.406
  137   1HG   ARG  24          2HG       ARG  24   9.048   2.980  -1.411
  138   2HG   ARG  24          1HG       ARG  24   8.856   3.656   0.207
  139   1HD   ARG  24          2HD       ARG  24   7.621   1.397   0.679
  140   2HD   ARG  24          1HD       ARG  24   8.524   0.837  -0.727
  141    HE   ARG  24           HE       ARG  24  10.396   0.774   0.572
  142   1HH1  ARG  24          1HH1      ARG  24   8.023   2.791   2.116
  143   2HH1  ARG  24          2HH1      ARG  24   9.006   3.180   3.495
  144   1HH2  ARG  24          1HH2      ARG  24  11.727   1.243   2.415
  145   2HH2  ARG  24          2HH2      ARG  24  11.110   2.280   3.660
  146    H    ASP  25           H        ASP  25   5.828   4.013   2.833
  147    HA   ASP  25           HA       ASP  25   6.234   5.657   4.327
  148   1HB   ASP  25          2HB       ASP  25   8.517   5.955   2.449
  149   2HB   ASP  25          1HB       ASP  25   8.192   7.317   3.514
  150    H    GLY  26           H        GLY  26   4.135   6.019   2.622
  151   1HA   GLY  26          2HA       GLY  26   2.663   7.891   2.614
  152   2HA   GLY  26          1HA       GLY  26   4.057   8.949   2.495
  153    H    LEU  27           H        LEU  27   5.148   7.128   0.299
  154    HA   LEU  27           HA       LEU  27   3.693   8.465  -1.834
  155   1HB   LEU  27          2HB       LEU  27   6.210   8.520  -1.614
  156   2HB   LEU  27          1HB       LEU  27   6.209   6.825  -2.057
  157    HG   LEU  27           HG       LEU  27   5.242   7.375  -4.236
  158   1HD1  LEU  27          1HD1      LEU  27   5.381  10.218  -3.244
  159   2HD1  LEU  27          2HD1      LEU  27   3.930   9.312  -3.672
  160   3HD1  LEU  27          3HD1      LEU  27   5.096   9.752  -4.921
  161   1HD2  LEU  27          1HD2      LEU  27   7.180   8.417  -5.199
  162   2HD2  LEU  27          2HD2      LEU  27   7.701   7.361  -3.886
  163   3HD2  LEU  27          3HD2      LEU  27   7.636   9.106  -3.640
  164    HA   PRO  28           HA       PRO  28   1.538   4.556  -2.481
  165   1HB   PRO  28          2HB       PRO  28  -0.258   5.506  -4.263
  166   2HB   PRO  28          1HB       PRO  28  -0.390   5.798  -2.526
  167   1HG   PRO  28          2HG       PRO  28   0.671   7.595  -4.673
  168   2HG   PRO  28          1HG       PRO  28  -0.401   7.987  -3.315
  169   1HD   PRO  28          2HD       PRO  28   2.262   8.509  -3.286
  170   2HD   PRO  28          1HD       PRO  28   1.338   8.129  -1.818
  171    H    VAL  29           H        VAL  29   4.005   4.767  -3.795
  172    HA   VAL  29           HA       VAL  29   3.354   4.160  -6.594
  173    HB   VAL  29           HB       VAL  29   5.789   4.345  -7.030
  174   1HG1  VAL  29          1HG1      VAL  29   4.345   6.254  -7.414
  175   2HG1  VAL  29          2HG1      VAL  29   5.912   6.790  -6.806
  176   3HG1  VAL  29          3HG1      VAL  29   4.516   6.749  -5.730
  177   1HG2  VAL  29          1HG2      VAL  29   5.933   4.269  -4.191
  178   2HG2  VAL  29          2HG2      VAL  29   6.591   5.811  -4.736
  179   3HG2  VAL  29          3HG2      VAL  29   7.254   4.301  -5.360
  Start of MODEL   13
    1   1H    CYS   1           H        CYS   1   3.150   2.538  -4.041
    2    HA   CYS   1           HA       CYS   1   5.171   0.524  -4.394
    3   1HB   CYS   1          2HB       CYS   1   2.727   0.760  -2.666
    4   2HB   CYS   1          1HB       CYS   1   3.620  -0.747  -2.787
    5    H    GLY   2           H        GLY   2   1.999   1.202  -5.600
    6   1HA   GLY   2          2HA       GLY   2   0.717   0.132  -7.188
    7   2HA   GLY   2          1HA       GLY   2   2.144  -0.825  -7.578
    8    H    GLU   3           H        GLU   3   0.566  -0.583  -4.469
    9    HA   GLU   3           HA       GLU   3  -0.503  -3.290  -4.700
   10   1HB   GLU   3          2HB       GLU   3   1.662  -3.641  -3.710
   11   2HB   GLU   3          1HB       GLU   3   1.431  -2.305  -2.594
   12   1HG   GLU   3          2HG       GLU   3   1.210  -4.379  -1.420
   13   2HG   GLU   3          1HG       GLU   3  -0.355  -3.576  -1.480
   14    H    THR   4           H        THR   4  -2.272  -3.679  -3.383
   15    HA   THR   4           HA       THR   4  -3.351  -1.299  -2.011
   16    HB   THR   4           HB       THR   4  -5.604  -2.219  -2.457
   17    HG1  THR   4           1HG      THR   4  -4.112  -4.325  -3.376
   18   1HG2  THR   4          1HG2      THR   4  -5.753  -1.159  -4.457
   19   2HG2  THR   4          2HG2      THR   4  -4.428  -2.082  -5.167
   20   3HG2  THR   4          3HG2      THR   4  -4.082  -0.722  -4.099
   21    H    CYS   5           H        CYS   5  -4.389  -1.590  -0.034
   22    HA   CYS   5           HA       CYS   5  -4.078  -4.246   1.164
   23   1HB   CYS   5          2HB       CYS   5  -3.475  -3.200   3.295
   24   2HB   CYS   5          1HB       CYS   5  -2.317  -2.815   2.030
   25    H    PHE   6           H        PHE   6  -6.364  -3.901   0.068
   26    HA   PHE   6           HA       PHE   6  -8.368  -2.495   1.412
   27   1HB   PHE   6          2HB       PHE   6  -8.424  -4.996  -0.264
   28   2HB   PHE   6          1HB       PHE   6  -9.889  -4.366   0.478
   29    HD1  PHE   6           1HD      PHE   6  -7.004  -2.900  -1.405
   30    HD2  PHE   6           2HD      PHE   6 -11.224  -3.227  -0.970
   31    HE1  PHE   6           1HE      PHE   6  -7.316  -1.365  -3.302
   32    HE2  PHE   6           2HE      PHE   6 -11.542  -1.695  -2.868
   33    HZ   PHE   6           HZ       PHE   6  -9.587  -0.761  -4.037
   34    H    GLY   7           H        GLY   7  -6.844  -5.567   2.104
   35   1HA   GLY   7          2HA       GLY   7  -8.664  -5.966   4.380
   36   2HA   GLY   7          1HA       GLY   7  -7.627  -7.201   3.677
   37    H    GLY   8           H        GLY   8  -6.244  -4.091   4.062
   38   1HA   GLY   8          2HA       GLY   8  -4.693  -3.236   5.526
   39   2HA   GLY   8          1HA       GLY   8  -5.321  -4.341   6.739
   40    H    THR   9           H        THR   9  -3.837  -5.071   3.606
   41    HA   THR   9           HA       THR   9  -1.441  -6.019   4.907
   42    HB   THR   9           HB       THR   9  -2.933  -7.960   5.096
   43    HG1  THR   9           1HG      THR   9  -1.409  -9.358   4.429
   44   1HG2  THR   9          1HG2      THR   9  -3.390  -7.386   2.231
   45   2HG2  THR   9          2HG2      THR   9  -4.479  -8.067   3.439
   46   3HG2  THR   9          3HG2      THR   9  -3.259  -9.087   2.678
   47    H    CYS  10           H        CYS  10   0.319  -6.143   3.535
   48    HA   CYS  10           HA       CYS  10  -0.139  -5.481   0.705
   49   1HB   CYS  10          2HB       CYS  10   2.041  -4.265   2.423
   50   2HB   CYS  10          1HB       CYS  10   1.688  -3.886   0.742
   51    H    ASN  11           H        ASN  11   0.979  -6.768  -0.659
   52    HA   ASN  11           HA       ASN  11   2.586  -8.888   0.379
   53   1HB   ASN  11          2HB       ASN  11   2.035  -7.949  -2.440
   54   2HB   ASN  11          1HB       ASN  11   3.028  -9.355  -2.073
   55   1HD2  ASN  11          1HD2      ASN  11  -0.101  -8.153  -2.509
   56   2HD2  ASN  11          2HD2      ASN  11  -0.966  -9.598  -2.091
   57    H    THR  12           H        THR  12   3.245  -5.803  -1.142
   58    HA   THR  12           HA       THR  12   6.058  -6.275  -1.450
   59    HB   THR  12           HB       THR  12   4.671  -3.592  -1.436
   60    HG1  THR  12           1HG      THR  12   4.155  -5.616  -3.040
   61   1HG2  THR  12          1HG2      THR  12   7.249  -3.882  -1.452
   62   2HG2  THR  12          2HG2      THR  12   6.507  -2.792  -2.624
   63   3HG2  THR  12          3HG2      THR  12   7.015  -4.406  -3.120
   64    HA   PRO  13           HA       PRO  13   6.896  -5.484   2.893
   65   1HB   PRO  13          2HB       PRO  13   9.699  -5.790   2.078
   66   2HB   PRO  13          1HB       PRO  13   8.751  -6.754   3.213
   67   1HG   PRO  13          2HG       PRO  13   9.504  -7.711   0.813
   68   2HG   PRO  13          1HG       PRO  13   7.962  -8.161   1.566
   69   1HD   PRO  13          2HD       PRO  13   8.499  -6.172  -0.610
   70   2HD   PRO  13          1HD       PRO  13   7.182  -7.356  -0.466
   71    H    GLY  14           H        GLY  14   7.418  -3.674   3.989
   72   1HA   GLY  14          2HA       GLY  14   8.714  -1.725   4.412
   73   2HA   GLY  14          1HA       GLY  14   9.121  -1.662   2.703
   74    H    CYS  15           H        CYS  15   6.297  -2.174   1.979
   75    HA   CYS  15           HA       CYS  15   5.481   0.571   1.904
   76   1HB   CYS  15          2HB       CYS  15   4.129  -1.944   0.917
   77   2HB   CYS  15          1HB       CYS  15   3.536  -0.313   0.619
   78    H    SER  16           H        SER  16   4.209   1.598   3.258
   79    HA   SER  16           HA       SER  16   2.982   0.172   5.461
   80   1HB   SER  16          2HB       SER  16   2.973   3.143   4.878
   81   2HB   SER  16          1HB       SER  16   2.642   2.358   6.424
   82    HG   SER  16           HG       SER  16   5.032   1.565   5.493
   83    H    CYS  17           H        CYS  17   0.823  -0.168   5.693
   84    HA   CYS  17           HA       CYS  17  -0.817   0.149   3.390
   85   1HB   CYS  17          2HB       CYS  17  -1.182  -1.789   4.743
   86   2HB   CYS  17          1HB       CYS  17  -1.442  -0.808   6.182
   87    H    THR  18           H        THR  18  -1.781   1.898   2.796
   88    HA   THR  18           HA       THR  18  -2.834   3.756   4.811
   89    HB   THR  18           HB       THR  18  -2.072   4.472   1.967
   90    HG1  THR  18           1HG      THR  18  -0.492   4.070   4.151
   91   1HG2  THR  18          1HG2      THR  18  -2.665   6.605   2.461
   92   2HG2  THR  18          2HG2      THR  18  -2.094   6.487   4.126
   93   3HG2  THR  18          3HG2      THR  18  -3.669   5.828   3.686
   94    H    TRP  19           H        TRP  19  -4.411   1.995   4.698
   95    HA   TRP  19           HA       TRP  19  -5.971   0.899   3.008
   96   1HB   TRP  19          2HB       TRP  19  -6.361   1.218   5.521
   97   2HB   TRP  19          1HB       TRP  19  -7.390   2.569   5.060
   98    HD1  TRP  19           HD       TRP  19  -7.102  -1.176   4.046
   99    HE1  TRP  19           1HE      TRP  19  -9.486  -2.126   3.837
  100    HE3  TRP  19           3HE      TRP  19  -9.751   3.066   5.109
  101    HZ2  TRP  19           2HZ      TRP  19 -12.139  -1.190   4.083
  102    HZ3  TRP  19           3HZ      TRP  19 -12.210   2.954   5.097
  103    HH2  TRP  19           HH       TRP  19 -13.376   0.869   4.595
  104    HA   PRO  20           HA       PRO  20  -6.728   0.225   1.782
  105   1HB   PRO  20          2HB       PRO  20  -7.919  -0.264  -0.547
  106   2HB   PRO  20          1HB       PRO  20  -8.871   0.122   0.890
  107   1HG   PRO  20          2HG       PRO  20  -8.344   1.766  -1.506
  108   2HG   PRO  20          1HG       PRO  20  -9.674   1.872  -0.342
  109   1HD   PRO  20          2HD       PRO  20  -7.209   3.409  -0.429
  110   2HD   PRO  20          1HD       PRO  20  -8.613   3.623   0.637
  111    H    ILE  21           H        ILE  21  -4.848   2.464   0.689
  112    HA   ILE  21           HA       ILE  21  -3.621   0.830  -1.456
  113    HB   ILE  21           HB       ILE  21  -3.398   3.826  -1.116
  114   1HG1  ILE  21          2HG1      ILE  21  -5.669   3.155  -1.806
  115   2HG1  ILE  21          1HG1      ILE  21  -4.826   4.020  -3.086
  116   1HG2  ILE  21          1HG2      ILE  21  -2.020   3.895  -2.934
  117   2HG2  ILE  21          2HG2      ILE  21  -2.672   2.411  -3.626
  118   3HG2  ILE  21          3HG2      ILE  21  -1.554   2.330  -2.264
  119   1HD1  ILE  21          1HD1      ILE  21  -6.066   2.163  -3.995
  120   2HD1  ILE  21          2HD1      ILE  21  -5.234   1.045  -2.914
  121   3HD1  ILE  21          3HD1      ILE  21  -4.335   1.880  -4.180
  122    H    CYS  22           H        CYS  22  -1.518   0.216  -1.203
  123    HA   CYS  22           HA       CYS  22  -0.228   0.851   1.313
  124   1HB   CYS  22          2HB       CYS  22   0.817  -0.821  -0.983
  125   2HB   CYS  22          1HB       CYS  22   1.430  -0.797   0.669
  126    H    THR  23           H        THR  23   1.229   2.417   1.607
  127    HA   THR  23           HA       THR  23   2.370   3.710  -0.795
  128    HB   THR  23           HB       THR  23   2.617   5.743   0.608
  129    HG1  THR  23           1HG      THR  23   0.850   4.914   2.551
  130   1HG2  THR  23          1HG2      THR  23   0.075   6.122   0.923
  131   2HG2  THR  23          2HG2      THR  23  -0.097   4.519   0.206
  132   3HG2  THR  23          3HG2      THR  23   0.685   5.812  -0.702
  133    H    ARG  24           H        ARG  24   4.490   4.419  -0.745
  134    HA   ARG  24           HA       ARG  24   6.225   2.996   1.150
  135   1HB   ARG  24          2HB       ARG  24   6.445   2.615  -1.370
  136   2HB   ARG  24          1HB       ARG  24   7.024   4.270  -1.471
  137   1HG   ARG  24          2HG       ARG  24   8.974   3.782  -0.268
  138   2HG   ARG  24          1HG       ARG  24   8.325   2.247   0.320
  139   1HD   ARG  24          2HD       ARG  24   9.031   2.908  -2.538
  140   2HD   ARG  24          1HD       ARG  24   9.957   1.872  -1.451
  141    HE   ARG  24           HE       ARG  24   7.401   0.820  -1.533
  142   1HH1  ARG  24          1HH1      ARG  24   9.973   1.420  -3.827
  143   2HH1  ARG  24          2HH1      ARG  24   9.541   0.097  -4.855
  144   1HH2  ARG  24          1HH2      ARG  24   6.826  -0.928  -2.874
  145   2HH2  ARG  24          2HH2      ARG  24   7.738  -1.246  -4.313
  146    H    ASP  25           H        ASP  25   5.942   4.503   2.776
  147    HA   ASP  25           HA       ASP  25   6.464   6.294   4.051
  148   1HB   ASP  25          2HB       ASP  25   8.752   5.981   2.900
  149   2HB   ASP  25          1HB       ASP  25   8.276   7.332   1.875
  150    H    GLY  26           H        GLY  26   4.150   6.400   2.766
  151   1HA   GLY  26          2HA       GLY  26   2.536   8.084   2.577
  152   2HA   GLY  26          1HA       GLY  26   3.818   9.253   2.321
  153    H    LEU  27           H        LEU  27   4.979   7.449   0.174
  154    HA   LEU  27           HA       LEU  27   3.329   8.527  -1.949
  155   1HB   LEU  27          2HB       LEU  27   6.022   7.186  -1.952
  156   2HB   LEU  27          1HB       LEU  27   5.192   7.672  -3.419
  157    HG   LEU  27           HG       LEU  27   5.940   9.573  -1.211
  158   1HD1  LEU  27          1HD1      LEU  27   7.610  10.312  -3.074
  159   2HD1  LEU  27          2HD1      LEU  27   7.427   8.647  -3.625
  160   3HD1  LEU  27          3HD1      LEU  27   8.022   8.978  -1.998
  161   1HD2  LEU  27          1HD2      LEU  27   4.030  10.172  -2.726
  162   2HD2  LEU  27          2HD2      LEU  27   5.181  10.156  -4.061
  163   3HD2  LEU  27          3HD2      LEU  27   5.382  11.304  -2.738
  164    HA   PRO  28           HA       PRO  28   1.370   4.528  -2.457
  165   1HB   PRO  28          2HB       PRO  28  -0.392   5.304  -4.347
  166   2HB   PRO  28          1HB       PRO  28  -0.594   5.726  -2.643
  167   1HG   PRO  28          2HG       PRO  28   0.485   7.383  -4.890
  168   2HG   PRO  28          1HG       PRO  28  -0.630   7.849  -3.593
  169   1HD   PRO  28          2HD       PRO  28   2.038   8.421  -3.551
  170   2HD   PRO  28          1HD       PRO  28   1.071   8.180  -2.084
  171    H    VAL  29           H        VAL  29   3.888   5.085  -3.754
  172    HA   VAL  29           HA       VAL  29   3.486   4.287  -6.533
  173    HB   VAL  29           HB       VAL  29   5.929   4.594  -6.768
  174   1HG1  VAL  29          1HG1      VAL  29   4.847   7.041  -5.424
  175   2HG1  VAL  29          2HG1      VAL  29   4.152   6.459  -6.936
  176   3HG1  VAL  29          3HG1      VAL  29   5.855   6.914  -6.865
  177   1HG2  VAL  29          1HG2      VAL  29   7.351   5.079  -5.052
  178   2HG2  VAL  29          2HG2      VAL  29   6.168   4.118  -4.163
  179   3HG2  VAL  29          3HG2      VAL  29   6.103   5.879  -4.097
  Start of MODEL   14
    1   1H    CYS   1           H        CYS   1   3.367   2.399  -4.024
    2    HA   CYS   1           HA       CYS   1   5.306   0.339  -4.488
    3   1HB   CYS   1          2HB       CYS   1   2.836   0.469  -2.754
    4   2HB   CYS   1          1HB       CYS   1   3.917  -0.913  -2.814
    5    H    GLY   2           H        GLY   2   2.134   1.137  -5.610
    6   1HA   GLY   2          2HA       GLY   2   0.781   0.141  -7.185
    7   2HA   GLY   2          1HA       GLY   2   2.154  -0.876  -7.609
    8    H    GLU   3           H        GLU   3   0.614  -0.586  -4.480
    9    HA   GLU   3           HA       GLU   3  -0.572  -3.243  -4.718
   10   1HB   GLU   3          2HB       GLU   3   1.575  -3.721  -3.764
   11   2HB   GLU   3          1HB       GLU   3   1.452  -2.370  -2.650
   12   1HG   GLU   3          2HG       GLU   3   1.135  -4.408  -1.448
   13   2HG   GLU   3          1HG       GLU   3  -0.390  -3.530  -1.495
   14    H    THR   4           H        THR   4  -2.321  -3.577  -3.338
   15    HA   THR   4           HA       THR   4  -3.245  -1.169  -1.904
   16    HB   THR   4           HB       THR   4  -5.568  -1.997  -2.331
   17    HG1  THR   4           1HG      THR   4  -4.173  -4.047  -3.447
   18   1HG2  THR   4          1HG2      THR   4  -3.755  -1.100  -4.545
   19   2HG2  THR   4          2HG2      THR   4  -4.970  -0.180  -3.659
   20   3HG2  THR   4          3HG2      THR   4  -5.469  -1.382  -4.848
   21    H    CYS   5           H        CYS   5  -4.244  -1.454   0.080
   22    HA   CYS   5           HA       CYS   5  -4.029  -4.156   1.202
   23   1HB   CYS   5          2HB       CYS   5  -3.465  -3.132   3.373
   24   2HB   CYS   5          1HB       CYS   5  -2.267  -2.792   2.133
   25    H    PHE   6           H        PHE   6  -6.315  -3.796   0.116
   26    HA   PHE   6           HA       PHE   6  -8.315  -2.397   1.468
   27   1HB   PHE   6          2HB       PHE   6  -8.370  -4.889  -0.218
   28   2HB   PHE   6          1HB       PHE   6  -9.835  -4.283   0.543
   29    HD1  PHE   6           1HD      PHE   6  -6.985  -2.759  -1.349
   30    HD2  PHE   6           2HD      PHE   6 -11.197  -3.156  -0.889
   31    HE1  PHE   6           1HE      PHE   6  -7.334  -1.213  -3.230
   32    HE2  PHE   6           2HE      PHE   6 -11.551  -1.611  -2.771
   33    HZ   PHE   6           HZ       PHE   6  -9.618  -0.637  -3.943
   34    H    GLY   7           H        GLY   7  -6.818  -5.494   2.136
   35   1HA   GLY   7          2HA       GLY   7  -8.609  -5.854   4.445
   36   2HA   GLY   7          1HA       GLY   7  -7.639  -7.122   3.706
   37    H    GLY   8           H        GLY   8  -6.155  -4.047   4.120
   38   1HA   GLY   8          2HA       GLY   8  -4.544  -3.274   5.563
   39   2HA   GLY   8          1HA       GLY   8  -5.173  -4.392   6.764
   40    H    THR   9           H        THR   9  -3.761  -5.058   3.581
   41    HA   THR   9           HA       THR   9  -1.373  -6.120   4.812
   42    HB   THR   9           HB       THR   9  -2.853  -8.047   4.947
   43    HG1  THR   9           1HG      THR   9  -1.269  -8.745   2.750
   44   1HG2  THR   9          1HG2      THR   9  -3.175  -7.768   1.956
   45   2HG2  THR   9          2HG2      THR   9  -4.422  -7.449   3.162
   46   3HG2  THR   9          3HG2      THR   9  -3.802  -9.086   2.947
   47    H    CYS  10           H        CYS  10   0.372  -6.200   3.425
   48    HA   CYS  10           HA       CYS  10  -0.101  -5.444   0.622
   49   1HB   CYS  10          2HB       CYS  10   2.099  -4.284   2.352
   50   2HB   CYS  10          1HB       CYS  10   1.723  -3.853   0.689
   51    H    ASN  11           H        ASN  11   0.983  -6.705  -0.784
   52    HA   ASN  11           HA       ASN  11   2.611  -8.846   0.170
   53   1HB   ASN  11          2HB       ASN  11   1.973  -7.825  -2.597
   54   2HB   ASN  11          1HB       ASN  11   3.052  -9.189  -2.326
   55   1HD2  ASN  11          1HD2      ASN  11  -0.153  -8.142  -2.607
   56   2HD2  ASN  11          2HD2      ASN  11  -0.923  -9.653  -2.231
   57    H    THR  12           H        THR  12   3.231  -5.699  -1.221
   58    HA   THR  12           HA       THR  12   6.041  -6.108  -1.602
   59    HB   THR  12           HB       THR  12   4.693  -3.426  -1.326
   60    HG1  THR  12           1HG      THR  12   4.256  -5.394  -3.200
   61   1HG2  THR  12          1HG2      THR  12   6.492  -2.578  -2.446
   62   2HG2  THR  12          2HG2      THR  12   6.745  -4.052  -3.378
   63   3HG2  THR  12          3HG2      THR  12   7.282  -3.967  -1.701
   64    HA   PRO  13           HA       PRO  13   6.885  -5.600   2.785
   65   1HB   PRO  13          2HB       PRO  13   9.684  -5.948   2.000
   66   2HB   PRO  13          1HB       PRO  13   8.677  -6.968   3.032
   67   1HG   PRO  13          2HG       PRO  13   9.471  -7.743   0.570
   68   2HG   PRO  13          1HG       PRO  13   7.915  -8.231   1.265
   69   1HD   PRO  13          2HD       PRO  13   8.506  -6.083  -0.740
   70   2HD   PRO  13          1HD       PRO  13   7.171  -7.255  -0.705
   71    H    GLY  14           H        GLY  14   7.356  -3.835   3.944
   72   1HA   GLY  14          2HA       GLY  14   8.717  -1.961   4.506
   73   2HA   GLY  14          1HA       GLY  14   9.195  -1.844   2.820
   74    H    CYS  15           H        CYS  15   6.306  -2.222   2.041
   75    HA   CYS  15           HA       CYS  15   5.671   0.576   2.023
   76   1HB   CYS  15          2HB       CYS  15   4.188  -1.819   0.930
   77   2HB   CYS  15          1HB       CYS  15   3.688  -0.146   0.690
   78    H    SER  16           H        SER  16   4.320   1.656   3.259
   79    HA   SER  16           HA       SER  16   3.073   0.329   5.502
   80   1HB   SER  16          2HB       SER  16   4.329   2.492   5.730
   81   2HB   SER  16          1HB       SER  16   3.076   3.269   4.765
   82    HG   SER  16           HG       SER  16   3.011   3.166   7.261
   83    H    CYS  17           H        CYS  17   0.902   0.060   5.775
   84    HA   CYS  17           HA       CYS  17  -0.719   0.225   3.424
   85   1HB   CYS  17          2HB       CYS  17  -1.064  -1.672   4.836
   86   2HB   CYS  17          1HB       CYS  17  -1.336  -0.651   6.244
   87    H    THR  18           H        THR  18  -1.600   2.011   2.768
   88    HA   THR  18           HA       THR  18  -2.685   3.906   4.732
   89    HB   THR  18           HB       THR  18  -1.990   4.526   1.850
   90    HG1  THR  18           1HG      THR  18  -0.361   4.248   4.054
   91   1HG2  THR  18          1HG2      THR  18  -2.365   6.338   4.243
   92   2HG2  THR  18          2HG2      THR  18  -3.585   6.041   3.003
   93   3HG2  THR  18          3HG2      THR  18  -2.071   6.842   2.578
   94    H    TRP  19           H        TRP  19  -4.286   2.161   4.723
   95    HA   TRP  19           HA       TRP  19  -5.872   1.034   3.045
   96   1HB   TRP  19          2HB       TRP  19  -6.202   1.342   5.571
   97   2HB   TRP  19          1HB       TRP  19  -7.243   2.695   5.139
   98    HD1  TRP  19           HD       TRP  19  -6.975  -1.056   4.144
   99    HE1  TRP  19           1HE      TRP  19  -9.362  -2.002   3.964
  100    HE3  TRP  19           3HE      TRP  19  -9.605   3.202   5.184
  101    HZ2  TRP  19           2HZ      TRP  19 -12.011  -1.058   4.223
  102    HZ3  TRP  19           3HZ      TRP  19 -12.064   3.096   5.194
  103    HH2  TRP  19           HH       TRP  19 -13.239   1.010   4.724
  104    HA   PRO  20           HA       PRO  20  -6.790   0.348   1.915
  105   1HB   PRO  20          2HB       PRO  20  -8.076  -0.145  -0.366
  106   2HB   PRO  20          1HB       PRO  20  -8.959   0.300   1.099
  107   1HG   PRO  20          2HG       PRO  20  -8.464   1.882  -1.345
  108   2HG   PRO  20          1HG       PRO  20  -9.750   2.049  -0.141
  109   1HD   PRO  20          2HD       PRO  20  -7.255   3.516  -0.340
  110   2HD   PRO  20          1HD       PRO  20  -8.604   3.775   0.785
  111    H    ILE  21           H        ILE  21  -4.808   2.431   0.752
  112    HA   ILE  21           HA       ILE  21  -3.703   0.640  -1.327
  113    HB   ILE  21           HB       ILE  21  -3.519   3.660  -1.333
  114   1HG1  ILE  21          2HG1      ILE  21  -5.083   1.821  -3.162
  115   2HG1  ILE  21          1HG1      ILE  21  -5.786   2.809  -1.885
  116   1HG2  ILE  21          1HG2      ILE  21  -1.833   1.777  -2.492
  117   2HG2  ILE  21          2HG2      ILE  21  -1.937   3.491  -2.891
  118   3HG2  ILE  21          3HG2      ILE  21  -2.876   2.315  -3.809
  119   1HD1  ILE  21          1HD1      ILE  21  -5.785   4.635  -3.159
  120   2HD1  ILE  21          2HD1      ILE  21  -5.525   3.527  -4.508
  121   3HD1  ILE  21          3HD1      ILE  21  -4.151   4.333  -3.751
  122    H    CYS  22           H        CYS  22  -1.587   0.091  -1.123
  123    HA   CYS  22           HA       CYS  22  -0.224   0.872   1.296
  124   1HB   CYS  22          2HB       CYS  22   0.817  -0.839  -0.967
  125   2HB   CYS  22          1HB       CYS  22   1.420  -0.779   0.688
  126    H    THR  23           H        THR  23   1.323   2.369   1.506
  127    HA   THR  23           HA       THR  23   2.418   3.575  -0.962
  128    HB   THR  23           HB       THR  23   2.521   5.727   0.172
  129    HG1  THR  23           1HG      THR  23   0.976   4.992   2.353
  130   1HG2  THR  23          1HG2      THR  23  -0.086   5.828   0.812
  131   2HG2  THR  23          2HG2      THR  23  -0.066   4.302  -0.071
  132   3HG2  THR  23          3HG2      THR  23   0.492   5.780  -0.854
  133    H    ARG  24           H        ARG  24   4.567   4.494  -0.723
  134    HA   ARG  24           HA       ARG  24   6.197   2.869   1.060
  135   1HB   ARG  24          2HB       ARG  24   6.788   3.233  -1.386
  136   2HB   ARG  24          1HB       ARG  24   7.148   4.903  -0.970
  137   1HG   ARG  24          2HG       ARG  24   9.187   3.633  -1.025
  138   2HG   ARG  24          1HG       ARG  24   8.841   4.107   0.640
  139   1HD   ARG  24          2HD       ARG  24   7.639   1.756   0.691
  140   2HD   ARG  24          1HD       ARG  24   8.751   1.414  -0.632
  141    HE   ARG  24           HE       ARG  24  10.441   1.280   0.892
  142   1HH1  ARG  24          1HH1      ARG  24   7.765   2.972   2.346
  143   2HH1  ARG  24          2HH1      ARG  24   8.530   3.182   3.892
  144   1HH2  ARG  24          1HH2      ARG  24  11.471   1.523   2.953
  145   2HH2  ARG  24          2HH2      ARG  24  10.628   2.341   4.229
  146    H    ASP  25           H        ASP  25   4.821   4.236   2.649
  147    HA   ASP  25           HA       ASP  25   4.781   5.654   4.392
  148   1HB   ASP  25          2HB       ASP  25   7.690   6.016   3.672
  149   2HB   ASP  25          1HB       ASP  25   6.941   6.798   5.062
  150    H    GLY  26           H        GLY  26   3.653   6.577   2.121
  151   1HA   GLY  26          2HA       GLY  26   2.945   9.062   2.405
  152   2HA   GLY  26          1HA       GLY  26   4.578   9.349   1.830
  153    H    LEU  27           H        LEU  27   4.836   7.501  -0.177
  154    HA   LEU  27           HA       LEU  27   2.819   8.454  -2.074
  155   1HB   LEU  27          2HB       LEU  27   5.676   7.617  -2.509
  156   2HB   LEU  27          1HB       LEU  27   4.554   7.946  -3.816
  157    HG   LEU  27           HG       LEU  27   5.354   9.950  -1.715
  158   1HD1  LEU  27          1HD1      LEU  27   6.906  10.851  -3.182
  159   2HD1  LEU  27          2HD1      LEU  27   6.205  10.037  -4.580
  160   3HD1  LEU  27          3HD1      LEU  27   7.133   9.116  -3.398
  161   1HD2  LEU  27          1HD2      LEU  27   4.002  10.463  -4.347
  162   2HD2  LEU  27          2HD2      LEU  27   4.183  11.555  -2.974
  163   3HD2  LEU  27          3HD2      LEU  27   3.097  10.170  -2.861
  164    HA   PRO  28           HA       PRO  28   1.532   4.211  -2.452
  165   1HB   PRO  28          2HB       PRO  28  -0.353   4.601  -4.335
  166   2HB   PRO  28          1HB       PRO  28  -0.581   5.120  -2.661
  167   1HG   PRO  28          2HG       PRO  28   0.218   6.734  -5.053
  168   2HG   PRO  28          1HG       PRO  28  -0.928   7.139  -3.762
  169   1HD   PRO  28          2HD       PRO  28   1.643   8.065  -3.842
  170   2HD   PRO  28          1HD       PRO  28   0.734   7.827  -2.338
  171    H    VAL  29           H        VAL  29   3.928   5.023  -3.844
  172    HA   VAL  29           HA       VAL  29   3.652   4.184  -6.595
  173    HB   VAL  29           HB       VAL  29   6.113   4.462  -6.705
  174   1HG1  VAL  29          1HG1      VAL  29   4.616   6.346  -7.155
  175   2HG1  VAL  29          2HG1      VAL  29   6.127   6.882  -6.419
  176   3HG1  VAL  29          3HG1      VAL  29   4.658   6.787  -5.448
  177   1HG2  VAL  29          1HG2      VAL  29   6.135   3.977  -4.047
  178   2HG2  VAL  29          2HG2      VAL  29   6.244   5.738  -4.053
  179   3HG2  VAL  29          3HG2      VAL  29   7.448   4.778  -4.912
  Start of MODEL   15
    1   1H    CYS   1           H        CYS   1   3.371   2.244  -3.939
    2    HA   CYS   1           HA       CYS   1   5.113  -0.011  -4.247
    3   1HB   CYS   1          2HB       CYS   1   2.576   0.276  -2.627
    4   2HB   CYS   1          1HB       CYS   1   3.774  -0.998  -2.466
    5    H    GLY   2           H        GLY   2   2.044   1.002  -5.486
    6   1HA   GLY   2          2HA       GLY   2   0.614   0.044  -7.011
    7   2HA   GLY   2          1HA       GLY   2   1.938  -1.039  -7.426
    8    H    GLU   3           H        GLU   3   0.204  -0.610  -4.384
    9    HA   GLU   3           HA       GLU   3  -1.060  -3.210  -4.641
   10   1HB   GLU   3          2HB       GLU   3   1.055  -3.859  -3.718
   11   2HB   GLU   3          1HB       GLU   3   1.016  -2.549  -2.549
   12   1HG   GLU   3          2HG       GLU   3   0.561  -4.607  -1.428
   13   2HG   GLU   3          1HG       GLU   3  -0.908  -3.637  -1.449
   14    H    THR   4           H        THR   4  -2.749  -3.541  -3.202
   15    HA   THR   4           HA       THR   4  -3.556  -1.193  -1.609
   16    HB   THR   4           HB       THR   4  -5.913  -1.808  -2.079
   17    HG1  THR   4           1HG      THR   4  -4.699  -3.900  -3.315
   18   1HG2  THR   4          1HG2      THR   4  -5.279   0.016  -3.347
   19   2HG2  THR   4          2HG2      THR   4  -5.767  -1.118  -4.607
   20   3HG2  THR   4          3HG2      THR   4  -4.058  -0.893  -4.237
   21    H    CYS   5           H        CYS   5  -4.457  -1.640   0.388
   22    HA   CYS   5           HA       CYS   5  -4.172  -4.439   1.219
   23   1HB   CYS   5          2HB       CYS   5  -3.914  -3.631   3.506
   24   2HB   CYS   5          1HB       CYS   5  -2.723  -2.907   2.434
   25    H    PHE   6           H        PHE   6  -6.405  -4.319  -0.024
   26    HA   PHE   6           HA       PHE   6  -8.673  -3.345   1.295
   27   1HB   PHE   6          2HB       PHE   6  -8.234  -5.602  -0.637
   28   2HB   PHE   6          1HB       PHE   6  -9.811  -5.381   0.114
   29    HD1  PHE   6           1HD      PHE   6  -7.384  -2.824  -1.089
   30    HD2  PHE   6           2HD      PHE   6 -11.193  -4.654  -1.585
   31    HE1  PHE   6           1HE      PHE   6  -7.967  -1.142  -2.787
   32    HE2  PHE   6           2HE      PHE   6 -11.782  -2.975  -3.285
   33    HZ   PHE   6           HZ       PHE   6 -10.169  -1.217  -3.887
   34    H    GLY   7           H        GLY   7  -6.742  -6.213   1.789
   35   1HA   GLY   7          2HA       GLY   7  -8.529  -7.038   3.981
   36   2HA   GLY   7          1HA       GLY   7  -7.369  -8.088   3.175
   37    H    GLY   8           H        GLY   8  -6.427  -4.845   3.958
   38   1HA   GLY   8          2HA       GLY   8  -4.975  -3.981   5.506
   39   2HA   GLY   8          1HA       GLY   8  -5.434  -5.301   6.569
   40    H    THR   9           H        THR   9  -3.926  -5.610   3.386
   41    HA   THR   9           HA       THR   9  -1.361  -6.194   4.583
   42    HB   THR   9           HB       THR   9  -2.435  -8.358   4.782
   43    HG1  THR   9           1HG      THR   9  -0.792  -8.719   2.528
   44   1HG2  THR   9          1HG2      THR   9  -2.747  -9.279   2.167
   45   2HG2  THR   9          2HG2      THR   9  -3.508  -7.689   2.183
   46   3HG2  THR   9          3HG2      THR   9  -4.026  -8.927   3.326
   47    H    CYS  10           H        CYS  10   0.348  -5.969   3.196
   48    HA   CYS  10           HA       CYS  10  -0.266  -5.242   0.405
   49   1HB   CYS  10          2HB       CYS  10   1.930  -4.085   2.144
   50   2HB   CYS  10          1HB       CYS  10   1.563  -3.623   0.487
   51    H    ASN  11           H        ASN  11   0.898  -6.336  -1.132
   52    HA   ASN  11           HA       ASN  11   2.485  -8.547  -0.366
   53   1HB   ASN  11          2HB       ASN  11   2.818  -8.975  -2.681
   54   2HB   ASN  11          1HB       ASN  11   1.199  -8.305  -2.542
   55   1HD2  ASN  11          1HD2      ASN  11   0.678  -6.649  -3.789
   56   2HD2  ASN  11          2HD2      ASN  11   1.795  -5.714  -4.735
   57    H    THR  12           H        THR  12   3.265  -5.266  -1.282
   58    HA   THR  12           HA       THR  12   6.093  -5.733  -1.461
   59    HB   THR  12           HB       THR  12   4.814  -3.034  -1.120
   60    HG1  THR  12           1HG      THR  12   4.518  -4.861  -3.219
   61   1HG2  THR  12          1HG2      THR  12   7.209  -4.072  -2.639
   62   2HG2  THR  12          2HG2      THR  12   7.218  -3.026  -1.220
   63   3HG2  THR  12          3HG2      THR  12   6.604  -2.420  -2.758
   64    HA   PRO  13           HA       PRO  13   6.515  -5.474   3.006
   65   1HB   PRO  13          2HB       PRO  13   9.162  -6.046   3.083
   66   2HB   PRO  13          1HB       PRO  13   7.924  -7.284   2.853
   67   1HG   PRO  13          2HG       PRO  13   9.668  -5.948   0.825
   68   2HG   PRO  13          1HG       PRO  13   9.197  -7.653   0.949
   69   1HD   PRO  13          2HD       PRO  13   8.023  -5.900  -0.773
   70   2HD   PRO  13          1HD       PRO  13   7.177  -7.297  -0.081
   71    H    GLY  14           H        GLY  14   6.939  -3.773   4.273
   72   1HA   GLY  14          2HA       GLY  14   8.326  -1.988   5.042
   73   2HA   GLY  14          1HA       GLY  14   8.961  -1.825   3.411
   74    H    CYS  15           H        CYS  15   6.203  -2.048   2.302
   75    HA   CYS  15           HA       CYS  15   5.638   0.745   2.283
   76   1HB   CYS  15          2HB       CYS  15   4.226  -1.643   1.104
   77   2HB   CYS  15          1HB       CYS  15   3.597  -0.006   0.946
   78    H    SER  16           H        SER  16   4.370   1.881   3.566
   79    HA   SER  16           HA       SER  16   2.756   0.509   5.566
   80   1HB   SER  16          2HB       SER  16   4.261   2.413   6.228
   81   2HB   SER  16          1HB       SER  16   3.283   3.480   5.222
   82    HG   SER  16           HG       SER  16   2.617   3.552   7.395
   83    H    CYS  17           H        CYS  17   0.646   0.161   5.146
   84    HA   CYS  17           HA       CYS  17  -0.438   1.415   2.795
   85   1HB   CYS  17          2HB       CYS  17  -0.781  -1.018   3.284
   86   2HB   CYS  17          1HB       CYS  17  -1.854  -0.532   4.599
   87    H    THR  18           H        THR  18  -1.452   3.197   2.777
   88    HA   THR  18           HA       THR  18  -2.816   4.210   5.146
   89    HB   THR  18           HB       THR  18  -2.582   5.524   2.419
   90    HG1  THR  18           1HG      THR  18  -0.532   5.760   2.916
   91   1HG2  THR  18          1HG2      THR  18  -3.606   7.309   3.324
   92   2HG2  THR  18          2HG2      THR  18  -2.674   7.196   4.816
   93   3HG2  THR  18          3HG2      THR  18  -4.115   6.203   4.601
   94    H    TRP  19           H        TRP  19  -4.133   2.303   4.964
   95    HA   TRP  19           HA       TRP  19  -5.605   1.079   3.299
   96   1HB   TRP  19          2HB       TRP  19  -5.921   1.061   5.802
   97   2HB   TRP  19          1HB       TRP  19  -7.096   2.354   5.585
   98    HD1  TRP  19           HD       TRP  19  -6.555  -1.284   4.294
   99    HE1  TRP  19           1HE      TRP  19  -8.869  -2.370   4.011
  100    HE3  TRP  19           3HE      TRP  19  -9.496   2.719   5.535
  101    HZ2  TRP  19           2HZ      TRP  19 -11.578  -1.633   4.274
  102    HZ3  TRP  19           3HZ      TRP  19 -11.940   2.440   5.491
  103    HH2  TRP  19           HH       TRP  19 -12.958   0.308   4.874
  104    HA   PRO  20           HA       PRO  20  -6.408   0.302   2.171
  105   1HB   PRO  20          2HB       PRO  20  -7.664  -0.304  -0.100
  106   2HB   PRO  20          1HB       PRO  20  -8.560  -0.101   1.410
  107   1HG   PRO  20          2HG       PRO  20  -8.450   1.660  -0.958
  108   2HG   PRO  20          1HG       PRO  20  -9.695   1.540   0.295
  109   1HD   PRO  20          2HD       PRO  20  -7.498   3.430   0.093
  110   2HD   PRO  20          1HD       PRO  20  -8.834   3.405   1.262
  111    H    ILE  21           H        ILE  21  -4.816   2.715   1.115
  112    HA   ILE  21           HA       ILE  21  -3.667   1.377  -1.261
  113    HB   ILE  21           HB       ILE  21  -3.538   4.318  -0.577
  114   1HG1  ILE  21          2HG1      ILE  21  -5.808   3.618  -1.232
  115   2HG1  ILE  21          1HG1      ILE  21  -5.075   4.659  -2.448
  116   1HG2  ILE  21          1HG2      ILE  21  -2.311   4.675  -2.490
  117   2HG2  ILE  21          2HG2      ILE  21  -2.854   3.179  -3.249
  118   3HG2  ILE  21          3HG2      ILE  21  -1.665   3.127  -1.947
  119   1HD1  ILE  21          1HD1      ILE  21  -5.116   1.661  -2.644
  120   2HD1  ILE  21          2HD1      ILE  21  -4.691   2.824  -3.901
  121   3HD1  ILE  21          3HD1      ILE  21  -6.357   2.707  -3.333
  122    H    CYS  22           H        CYS  22  -1.710   0.504  -0.976
  123    HA   CYS  22           HA       CYS  22  -0.144   1.040   1.377
  124   1HB   CYS  22          2HB       CYS  22   0.688  -0.510  -1.085
  125   2HB   CYS  22          1HB       CYS  22   1.361  -0.640   0.538
  126    H    THR  23           H        THR  23   1.485   2.451   1.617
  127    HA   THR  23           HA       THR  23   2.593   3.724  -0.806
  128    HB   THR  23           HB       THR  23   2.685   5.868   0.516
  129    HG1  THR  23           1HG      THR  23   1.663   4.212   2.435
  130   1HG2  THR  23          1HG2      THR  23   0.064   4.601  -0.232
  131   2HG2  THR  23          2HG2      THR  23   0.990   5.826  -1.099
  132   3HG2  THR  23          3HG2      THR  23   0.137   6.251   0.386
  133    H    ARG  24           H        ARG  24   4.728   4.152  -0.791
  134    HA   ARG  24           HA       ARG  24   6.281   3.147   1.484
  135   1HB   ARG  24          2HB       ARG  24   6.700   2.361  -0.930
  136   2HB   ARG  24          1HB       ARG  24   7.332   3.972  -1.232
  137   1HG   ARG  24          2HG       ARG  24   8.427   2.239   0.958
  138   2HG   ARG  24          1HG       ARG  24   8.996   2.110  -0.706
  139   1HD   ARG  24          2HD       ARG  24   9.035   4.613   0.978
  140   2HD   ARG  24          1HD       ARG  24  10.423   3.576   0.651
  141    HE   ARG  24           HE       ARG  24   9.430   4.294  -1.812
  142   1HH1  ARG  24          1HH1      ARG  24  10.650   5.982   1.004
  143   2HH1  ARG  24          2HH1      ARG  24  11.315   7.295   0.073
  144   1HH2  ARG  24          1HH2      ARG  24  10.304   6.026  -3.037
  145   2HH2  ARG  24          2HH2      ARG  24  11.116   7.319  -2.222
  146    H    ASP  25           H        ASP  25   6.388   4.746   2.926
  147    HA   ASP  25           HA       ASP  25   6.820   6.734   3.909
  148   1HB   ASP  25          2HB       ASP  25   8.575   7.126   1.475
  149   2HB   ASP  25          1HB       ASP  25   8.564   8.200   2.871
  150    H    GLY  26           H        GLY  26   4.468   6.531   2.473
  151   1HA   GLY  26          2HA       GLY  26   2.762   8.112   2.180
  152   2HA   GLY  26          1HA       GLY  26   3.982   9.348   1.923
  153    H    LEU  27           H        LEU  27   5.200   7.239  -0.063
  154    HA   LEU  27           HA       LEU  27   3.714   8.292  -2.324
  155   1HB   LEU  27          2HB       LEU  27   6.325   6.808  -2.135
  156   2HB   LEU  27          1HB       LEU  27   5.581   7.258  -3.658
  157    HG   LEU  27           HG       LEU  27   6.356   9.236  -1.527
  158   1HD1  LEU  27          1HD1      LEU  27   8.438   8.551  -2.171
  159   2HD1  LEU  27          2HD1      LEU  27   8.118   9.748  -3.426
  160   3HD1  LEU  27          3HD1      LEU  27   7.894   8.032  -3.767
  161   1HD2  LEU  27          1HD2      LEU  27   5.356  10.771  -2.781
  162   2HD2  LEU  27          2HD2      LEU  27   4.692   9.463  -3.761
  163   3HD2  LEU  27          3HD2      LEU  27   6.215  10.223  -4.221
  164    HA   PRO  28           HA       PRO  28   1.563   4.380  -2.672
  165   1HB   PRO  28          2HB       PRO  28  -0.069   5.117  -4.686
  166   2HB   PRO  28          1HB       PRO  28  -0.315   5.678  -3.027
  167   1HG   PRO  28          2HG       PRO  28   0.953   7.097  -5.338
  168   2HG   PRO  28          1HG       PRO  28  -0.181   7.723  -4.127
  169   1HD   PRO  28          2HD       PRO  28   2.518   8.133  -4.014
  170   2HD   PRO  28          1HD       PRO  28   1.478   8.074  -2.578
  171    H    VAL  29           H        VAL  29   4.160   4.714  -3.876
  172    HA   VAL  29           HA       VAL  29   3.877   3.824  -6.630
  173    HB   VAL  29           HB       VAL  29   6.348   3.862  -6.685
  174   1HG1  VAL  29          1HG1      VAL  29   4.953   5.876  -7.175
  175   2HG1  VAL  29          2HG1      VAL  29   6.592   6.239  -6.635
  176   3HG1  VAL  29          3HG1      VAL  29   5.238   6.408  -5.517
  177   1HG2  VAL  29          1HG2      VAL  29   6.629   5.268  -4.133
  178   2HG2  VAL  29          2HG2      VAL  29   7.655   4.035  -4.869
  179   3HG2  VAL  29          3HG2      VAL  29   6.214   3.562  -3.970
  Start of MODEL   16
    1   1H    CYS   1           H        CYS   1   3.177   2.588  -4.094
    2    HA   CYS   1           HA       CYS   1   5.080   0.449  -4.285
    3   1HB   CYS   1          2HB       CYS   1   2.603   0.922  -2.656
    4   2HB   CYS   1          1HB       CYS   1   3.376  -0.654  -2.684
    5    H    GLY   2           H        GLY   2   1.949   1.201  -5.574
    6   1HA   GLY   2          2HA       GLY   2   0.623   0.123  -7.109
    7   2HA   GLY   2          1HA       GLY   2   2.042  -0.834  -7.522
    8    H    GLU   3           H        GLU   3   0.492  -0.626  -4.378
    9    HA   GLU   3           HA       GLU   3  -0.623  -3.302  -4.673
   10   1HB   GLU   3          2HB       GLU   3   1.572  -3.743  -3.782
   11   2HB   GLU   3          1HB       GLU   3   1.395  -2.475  -2.579
   12   1HG   GLU   3          2HG       GLU   3   1.157  -4.612  -1.530
   13   2HG   GLU   3          1HG       GLU   3  -0.392  -3.775  -1.504
   14    H    THR   4           H        THR   4  -2.412  -3.650  -3.435
   15    HA   THR   4           HA       THR   4  -3.358  -1.333  -1.880
   16    HB   THR   4           HB       THR   4  -5.654  -2.227  -2.303
   17    HG1  THR   4           1HG      THR   4  -4.225  -4.251  -3.385
   18   1HG2  THR   4          1HG2      THR   4  -4.423  -1.744  -4.974
   19   2HG2  THR   4          2HG2      THR   4  -4.284  -0.489  -3.744
   20   3HG2  THR   4          3HG2      THR   4  -5.876  -1.045  -4.260
   21    H    CYS   5           H        CYS   5  -4.364  -1.675   0.094
   22    HA   CYS   5           HA       CYS   5  -4.071  -4.374   1.203
   23   1HB   CYS   5          2HB       CYS   5  -3.538  -3.319   3.383
   24   2HB   CYS   5          1HB       CYS   5  -2.328  -3.011   2.144
   25    H    PHE   6           H        PHE   6  -6.368  -4.080   0.148
   26    HA   PHE   6           HA       PHE   6  -8.383  -2.688   1.481
   27   1HB   PHE   6          2HB       PHE   6  -8.402  -5.222  -0.140
   28   2HB   PHE   6          1HB       PHE   6  -9.873  -4.627   0.616
   29    HD1  PHE   6           1HD      PHE   6  -7.073  -2.986  -1.246
   30    HD2  PHE   6           2HD      PHE   6 -11.260  -3.671  -0.922
   31    HE1  PHE   6           1HE      PHE   6  -7.462  -1.494  -3.162
   32    HE2  PHE   6           2HE      PHE   6 -11.655  -2.180  -2.838
   33    HZ   PHE   6           HZ       PHE   6  -9.755  -1.090  -3.961
   34    H    GLY   7           H        GLY   7  -6.871  -5.776   2.183
   35   1HA   GLY   7          2HA       GLY   7  -8.607  -6.088   4.536
   36   2HA   GLY   7          1HA       GLY   7  -7.623  -7.359   3.819
   37    H    GLY   8           H        GLY   8  -6.199  -4.245   4.129
   38   1HA   GLY   8          2HA       GLY   8  -4.578  -3.399   5.520
   39   2HA   GLY   8          1HA       GLY   8  -5.164  -4.493   6.763
   40    H    THR   9           H        THR   9  -3.861  -5.319   3.582
   41    HA   THR   9           HA       THR   9  -1.379  -6.212   4.753
   42    HB   THR   9           HB       THR   9  -2.838  -8.142   5.147
   43    HG1  THR   9           1HG      THR   9  -1.322  -9.518   4.507
   44   1HG2  THR   9          1HG2      THR   9  -3.584  -7.660   2.341
   45   2HG2  THR   9          2HG2      THR   9  -4.511  -8.385   3.654
   46   3HG2  THR   9          3HG2      THR   9  -3.331  -9.353   2.770
   47    H    CYS  10           H        CYS  10   0.278  -6.371   3.273
   48    HA   CYS  10           HA       CYS  10  -0.355  -6.001   0.440
   49   1HB   CYS  10          2HB       CYS  10   1.421  -4.212   2.106
   50   2HB   CYS  10          1HB       CYS  10   1.530  -4.280   0.350
   51    H    ASN  11           H        ASN  11   0.989  -7.023  -0.938
   52    HA   ASN  11           HA       ASN  11   2.714  -9.032   0.078
   53   1HB   ASN  11          2HB       ASN  11   2.260  -7.959  -2.708
   54   2HB   ASN  11          1HB       ASN  11   3.345  -9.303  -2.366
   55   1HD2  ASN  11          1HD2      ASN  11   0.127  -8.304  -2.844
   56   2HD2  ASN  11          2HD2      ASN  11  -0.623  -9.850  -2.597
   57    H    THR  12           H        THR  12   3.274  -5.887  -1.409
   58    HA   THR  12           HA       THR  12   6.107  -6.105  -1.487
   59    HB   THR  12           HB       THR  12   4.567  -3.513  -1.388
   60    HG1  THR  12           1HG      THR  12   4.499  -3.829  -3.754
   61   1HG2  THR  12          1HG2      THR  12   7.002  -4.224  -3.013
   62   2HG2  THR  12          2HG2      THR  12   7.113  -3.587  -1.373
   63   3HG2  THR  12          3HG2      THR  12   6.365  -2.621  -2.644
   64    HA   PRO  13           HA       PRO  13   6.545  -5.457   2.941
   65   1HB   PRO  13          2HB       PRO  13   9.397  -5.824   2.466
   66   2HB   PRO  13          1HB       PRO  13   8.280  -6.846   3.373
   67   1HG   PRO  13          2HG       PRO  13   9.370  -7.599   1.007
   68   2HG   PRO  13          1HG       PRO  13   7.767  -8.134   1.544
   69   1HD   PRO  13          2HD       PRO  13   8.493  -5.973  -0.402
   70   2HD   PRO  13          1HD       PRO  13   7.193  -7.183  -0.493
   71    H    GLY  14           H        GLY  14   6.966  -3.674   4.104
   72   1HA   GLY  14          2HA       GLY  14   8.312  -1.793   4.697
   73   2HA   GLY  14          1HA       GLY  14   8.855  -1.701   3.029
   74    H    CYS  15           H        CYS  15   6.016  -2.099   2.116
   75    HA   CYS  15           HA       CYS  15   5.378   0.666   1.931
   76   1HB   CYS  15          2HB       CYS  15   3.862  -1.813   1.099
   77   2HB   CYS  15          1HB       CYS  15   3.326  -0.170   0.750
   78    H    SER  16           H        SER  16   4.147   1.885   3.166
   79    HA   SER  16           HA       SER  16   2.915   0.774   5.526
   80   1HB   SER  16          2HB       SER  16   4.112   2.977   5.531
   81   2HB   SER  16          1HB       SER  16   2.853   3.622   4.479
   82    HG   SER  16           HG       SER  16   2.838   3.530   7.095
   83    H    CYS  17           H        CYS  17   0.834   0.168   5.665
   84    HA   CYS  17           HA       CYS  17  -0.792   0.282   3.338
   85   1HB   CYS  17          2HB       CYS  17  -1.015  -1.671   4.675
   86   2HB   CYS  17          1HB       CYS  17  -1.308  -0.727   6.134
   87    H    THR  18           H        THR  18  -1.383   2.273   2.774
   88    HA   THR  18           HA       THR  18  -2.759   3.977   4.705
   89    HB   THR  18           HB       THR  18  -2.175   4.620   1.804
   90    HG1  THR  18           1HG      THR  18  -0.439   4.342   3.886
   91   1HG2  THR  18          1HG2      THR  18  -3.802   6.042   3.065
   92   2HG2  THR  18          2HG2      THR  18  -2.378   6.917   2.504
   93   3HG2  THR  18          3HG2      THR  18  -2.509   6.438   4.197
   94    H    TRP  19           H        TRP  19  -4.265   2.146   4.742
   95    HA   TRP  19           HA       TRP  19  -5.807   0.904   3.106
   96   1HB   TRP  19          2HB       TRP  19  -6.138   1.225   5.619
   97   2HB   TRP  19          1HB       TRP  19  -7.223   2.544   5.190
   98    HD1  TRP  19           HD       TRP  19  -6.864  -1.202   4.198
   99    HE1  TRP  19           1HE      TRP  19  -9.226  -2.218   4.069
  100    HE3  TRP  19           3HE      TRP  19  -9.596   2.977   5.297
  101    HZ2  TRP  19           2HZ      TRP  19 -11.895  -1.352   4.387
  102    HZ3  TRP  19           3HZ      TRP  19 -12.049   2.798   5.362
  103    HH2  TRP  19           HH       TRP  19 -13.173   0.678   4.915
  104    HA   PRO  20           HA       PRO  20  -6.694   0.144   1.991
  105   1HB   PRO  20          2HB       PRO  20  -7.973  -0.463  -0.266
  106   2HB   PRO  20          1HB       PRO  20  -8.865  -0.035   1.198
  107   1HG   PRO  20          2HG       PRO  20  -8.477   1.519  -1.283
  108   2HG   PRO  20          1HG       PRO  20  -9.757   1.645  -0.067
  109   1HD   PRO  20          2HD       PRO  20  -7.342   3.233  -0.325
  110   2HD   PRO  20          1HD       PRO  20  -8.694   3.449   0.807
  111    H    ILE  21           H        ILE  21  -4.803   2.273   0.798
  112    HA   ILE  21           HA       ILE  21  -3.611   0.486  -1.232
  113    HB   ILE  21           HB       ILE  21  -3.680   3.507  -1.399
  114   1HG1  ILE  21          2HG1      ILE  21  -5.033   1.438  -3.148
  115   2HG1  ILE  21          1HG1      ILE  21  -5.847   2.422  -1.938
  116   1HG2  ILE  21          1HG2      ILE  21  -2.865   2.097  -3.790
  117   2HG2  ILE  21          2HG2      ILE  21  -1.798   1.743  -2.431
  118   3HG2  ILE  21          3HG2      ILE  21  -2.066   3.413  -2.929
  119   1HD1  ILE  21          1HD1      ILE  21  -6.233   3.902  -3.535
  120   2HD1  ILE  21          2HD1      ILE  21  -5.185   3.042  -4.663
  121   3HD1  ILE  21          3HD1      ILE  21  -4.502   4.239  -3.562
  122    H    CYS  22           H        CYS  22  -1.484   0.044  -0.936
  123    HA   CYS  22           HA       CYS  22  -0.197   1.142   1.389
  124   1HB   CYS  22          2HB       CYS  22   0.388  -1.061  -0.501
  125   2HB   CYS  22          1HB       CYS  22   1.759  -0.337   0.337
  126    H    THR  23           H        THR  23   1.373   2.569   1.541
  127    HA   THR  23           HA       THR  23   2.420   3.735  -0.967
  128    HB   THR  23           HB       THR  23   2.615   5.895   0.242
  129    HG1  THR  23           1HG      THR  23   0.825   5.189   2.228
  130   1HG2  THR  23          1HG2      THR  23   0.071   4.569  -0.410
  131   2HG2  THR  23          2HG2      THR  23   0.702   6.131  -0.931
  132   3HG2  THR  23          3HG2      THR  23  -0.084   5.976   0.640
  133    H    ARG  24           H        ARG  24   4.557   4.441  -0.961
  134    HA   ARG  24           HA       ARG  24   6.291   3.076   0.942
  135   1HB   ARG  24          2HB       ARG  24   6.836   2.926  -1.458
  136   2HB   ARG  24          1HB       ARG  24   6.902   4.680  -1.563
  137   1HG   ARG  24          2HG       ARG  24   8.749   4.520   0.203
  138   2HG   ARG  24          1HG       ARG  24   8.807   2.806  -0.216
  139   1HD   ARG  24          2HD       ARG  24   9.496   3.243  -2.405
  140   2HD   ARG  24          1HD       ARG  24   8.961   4.922  -2.336
  141    HE   ARG  24           HE       ARG  24  11.515   3.947  -1.632
  142   1HH1  ARG  24          1HH1      ARG  24   9.120   6.310  -0.700
  143   2HH1  ARG  24          2HH1      ARG  24  10.213   7.264   0.246
  144   1HH2  ARG  24          1HH2      ARG  24  13.010   5.271  -0.469
  145   2HH2  ARG  24          2HH2      ARG  24  12.438   6.703   0.321
  146    H    ASP  25           H        ASP  25   6.073   4.234   2.785
  147    HA   ASP  25           HA       ASP  25   6.043   5.920   4.265
  148   1HB   ASP  25          2HB       ASP  25   8.063   7.539   4.064
  149   2HB   ASP  25          1HB       ASP  25   8.336   5.848   4.432
  150    H    GLY  26           H        GLY  26   4.188   6.346   2.374
  151   1HA   GLY  26          2HA       GLY  26   2.745   8.275   2.379
  152   2HA   GLY  26          1HA       GLY  26   4.172   9.288   2.265
  153    H    LEU  27           H        LEU  27   5.214   7.347   0.130
  154    HA   LEU  27           HA       LEU  27   3.870   8.714  -2.058
  155   1HB   LEU  27          2HB       LEU  27   6.379   8.665  -1.789
  156   2HB   LEU  27          1HB       LEU  27   6.315   6.961  -2.193
  157    HG   LEU  27           HG       LEU  27   5.418   7.499  -4.405
  158   1HD1  LEU  27          1HD1      LEU  27   5.785  10.389  -3.623
  159   2HD1  LEU  27          2HD1      LEU  27   4.228   9.567  -3.738
  160   3HD1  LEU  27          3HD1      LEU  27   5.225   9.772  -5.179
  161   1HD2  LEU  27          1HD2      LEU  27   7.809   7.322  -4.191
  162   2HD2  LEU  27          2HD2      LEU  27   7.924   8.996  -3.651
  163   3HD2  LEU  27          3HD2      LEU  27   7.428   8.636  -5.304
  164    HA   PRO  28           HA       PRO  28   1.528   4.929  -2.736
  165   1HB   PRO  28          2HB       PRO  28   0.241   6.438  -4.883
  166   2HB   PRO  28          1HB       PRO  28  -0.457   5.790  -3.396
  167   1HG   PRO  28          2HG       PRO  28  -0.125   8.440  -3.803
  168   2HG   PRO  28          1HG       PRO  28  -0.005   7.700  -2.196
  169   1HD   PRO  28          2HD       PRO  28   2.184   8.544  -4.062
  170   2HD   PRO  28          1HD       PRO  28   2.059   8.757  -2.301
  171    H    VAL  29           H        VAL  29   4.079   4.888  -3.868
  172    HA   VAL  29           HA       VAL  29   3.555   4.155  -6.669
  173    HB   VAL  29           HB       VAL  29   6.008   4.278  -7.011
  174   1HG1  VAL  29          1HG1      VAL  29   5.930   6.488  -7.491
  175   2HG1  VAL  29          2HG1      VAL  29   5.360   6.931  -5.883
  176   3HG1  VAL  29          3HG1      VAL  29   4.230   6.280  -7.071
  177   1HG2  VAL  29          1HG2      VAL  29   6.196   5.627  -4.333
  178   2HG2  VAL  29          2HG2      VAL  29   7.498   5.059  -5.378
  179   3HG2  VAL  29          3HG2      VAL  29   6.484   3.897  -4.524
  Start of MODEL   17
    1   1H    CYS   1           H        CYS   1   3.321   2.397  -3.992
    2    HA   CYS   1           HA       CYS   1   5.078   0.135  -4.173
    3   1HB   CYS   1          2HB       CYS   1   2.540   0.649  -2.619
    4   2HB   CYS   1          1HB       CYS   1   3.422  -0.865  -2.544
    5    H    GLY   2           H        GLY   2   2.024   1.131  -5.475
    6   1HA   GLY   2          2HA       GLY   2   0.624   0.180  -7.027
    7   2HA   GLY   2          1HA       GLY   2   1.981  -0.849  -7.471
    8    H    GLU   3           H        GLU   3   0.433  -0.655  -4.322
    9    HA   GLU   3           HA       GLU   3  -0.851  -3.237  -4.726
   10   1HB   GLU   3          2HB       GLU   3   1.298  -3.883  -3.879
   11   2HB   GLU   3          1HB       GLU   3   1.241  -2.650  -2.629
   12   1HG   GLU   3          2HG       GLU   3   0.845  -4.790  -1.646
   13   2HG   GLU   3          1HG       GLU   3  -0.636  -3.842  -1.579
   14    H    THR   4           H        THR   4  -2.595  -3.588  -3.438
   15    HA   THR   4           HA       THR   4  -3.511  -1.264  -1.880
   16    HB   THR   4           HB       THR   4  -5.787  -2.231  -2.166
   17    HG1  THR   4           1HG      THR   4  -4.309  -4.269  -3.275
   18   1HG2  THR   4          1HG2      THR   4  -5.031  -2.031  -4.958
   19   2HG2  THR   4          2HG2      THR   4  -4.263  -0.782  -3.976
   20   3HG2  THR   4          3HG2      THR   4  -6.019  -0.948  -3.978
   21    H    CYS   5           H        CYS   5  -4.608  -1.642   0.130
   22    HA   CYS   5           HA       CYS   5  -4.087  -4.266   1.310
   23   1HB   CYS   5          2HB       CYS   5  -3.436  -3.139   3.430
   24   2HB   CYS   5          1HB       CYS   5  -2.310  -2.859   2.109
   25    H    PHE   6           H        PHE   6  -6.486  -3.986   0.408
   26    HA   PHE   6           HA       PHE   6  -8.422  -2.580   1.806
   27   1HB   PHE   6          2HB       PHE   6  -8.526  -5.254   0.420
   28   2HB   PHE   6          1HB       PHE   6  -9.950  -4.561   1.187
   29    HD1  PHE   6           1HD      PHE   6 -11.404  -3.686  -0.333
   30    HD2  PHE   6           2HD      PHE   6  -7.229  -3.211  -1.003
   31    HE1  PHE   6           1HE      PHE   6 -11.882  -2.394  -2.371
   32    HE2  PHE   6           2HE      PHE   6  -7.699  -1.916  -3.040
   33    HZ   PHE   6           HZ       PHE   6 -10.028  -1.505  -3.726
   34    H    GLY   7           H        GLY   7  -6.803  -5.571   2.622
   35   1HA   GLY   7          2HA       GLY   7  -8.058  -5.440   5.287
   36   2HA   GLY   7          1HA       GLY   7  -7.781  -6.974   4.467
   37    H    GLY   8           H        GLY   8  -5.561  -4.274   4.309
   38   1HA   GLY   8          2HA       GLY   8  -3.399  -4.011   5.034
   39   2HA   GLY   8          1HA       GLY   8  -3.854  -4.970   6.436
   40    H    THR   9           H        THR   9  -3.666  -5.768   2.975
   41    HA   THR   9           HA       THR   9  -1.678  -7.833   3.672
   42    HB   THR   9           HB       THR   9  -3.754  -8.340   1.565
   43    HG1  THR   9           1HG      THR   9  -4.061  -8.409   4.369
   44   1HG2  THR   9          1HG2      THR   9  -1.893  -9.976   3.256
   45   2HG2  THR   9          2HG2      THR   9  -2.107  -9.987   1.506
   46   3HG2  THR   9          3HG2      THR   9  -3.333 -10.710   2.548
   47    H    CYS  10           H        CYS  10  -0.297  -5.949   2.825
   48    HA   CYS  10           HA       CYS  10  -0.323  -5.730  -0.078
   49   1HB   CYS  10          2HB       CYS  10   1.353  -4.321   2.013
   50   2HB   CYS  10          1HB       CYS  10   1.502  -4.054   0.278
   51    H    ASN  11           H        ASN  11   1.011  -6.735  -1.417
   52    HA   ASN  11           HA       ASN  11   2.592  -8.899  -0.535
   53   1HB   ASN  11          2HB       ASN  11   3.080  -9.286  -2.808
   54   2HB   ASN  11          1HB       ASN  11   1.488  -8.536  -2.832
   55   1HD2  ASN  11          1HD2      ASN  11   4.141  -8.647  -4.537
   56   2HD2  ASN  11          2HD2      ASN  11   4.249  -7.028  -5.126
   57    H    THR  12           H        THR  12   3.367  -5.585  -1.350
   58    HA   THR  12           HA       THR  12   6.217  -6.041  -1.204
   59    HB   THR  12           HB       THR  12   4.773  -3.393  -1.373
   60    HG1  THR  12           1HG      THR  12   4.224  -4.894  -3.109
   61   1HG2  THR  12          1HG2      THR  12   6.789  -2.441  -1.900
   62   2HG2  THR  12          2HG2      THR  12   7.432  -3.928  -2.595
   63   3HG2  THR  12          3HG2      THR  12   7.357  -3.735  -0.844
   64    HA   PRO  13           HA       PRO  13   6.127  -5.424   3.243
   65   1HB   PRO  13          2HB       PRO  13   8.994  -5.940   3.104
   66   2HB   PRO  13          1HB       PRO  13   7.727  -6.900   3.872
   67   1HG   PRO  13          2HG       PRO  13   9.043  -7.719   1.647
   68   2HG   PRO  13          1HG       PRO  13   7.362  -8.164   1.991
   69   1HD   PRO  13          2HD       PRO  13   8.427  -6.055   0.148
   70   2HD   PRO  13          1HD       PRO  13   7.080  -7.191  -0.094
   71    H    GLY  14           H        GLY  14   6.553  -3.669   4.479
   72   1HA   GLY  14          2HA       GLY  14   7.940  -1.853   5.188
   73   2HA   GLY  14          1HA       GLY  14   8.616  -1.785   3.566
   74    H    CYS  15           H        CYS  15   5.865  -2.063   2.417
   75    HA   CYS  15           HA       CYS  15   5.336   0.703   2.141
   76   1HB   CYS  15          2HB       CYS  15   3.774  -1.755   1.325
   77   2HB   CYS  15          1HB       CYS  15   3.260  -0.112   0.939
   78    H    SER  16           H        SER  16   4.097   2.024   3.285
   79    HA   SER  16           HA       SER  16   2.779   1.054   5.655
   80   1HB   SER  16          2HB       SER  16   2.745   3.848   4.484
   81   2HB   SER  16          1HB       SER  16   2.412   3.387   6.154
   82    HG   SER  16           HG       SER  16   4.793   2.427   5.559
   83    H    CYS  17           H        CYS  17   0.721   0.412   5.727
   84    HA   CYS  17           HA       CYS  17  -0.884   0.507   3.393
   85   1HB   CYS  17          2HB       CYS  17  -1.089  -1.404   4.819
   86   2HB   CYS  17          1HB       CYS  17  -1.486  -0.399   6.210
   87    H    THR  18           H        THR  18  -1.508   2.460   2.761
   88    HA   THR  18           HA       THR  18  -2.872   4.232   4.644
   89    HB   THR  18           HB       THR  18  -2.303   4.773   1.720
   90    HG1  THR  18           1HG      THR  18  -0.532   4.485   3.697
   91   1HG2  THR  18          1HG2      THR  18  -2.354   6.887   3.807
   92   2HG2  THR  18          2HG2      THR  18  -3.896   6.159   3.358
   93   3HG2  THR  18          3HG2      THR  18  -2.900   6.941   2.130
   94    H    TRP  19           H        TRP  19  -4.356   2.397   4.757
   95    HA   TRP  19           HA       TRP  19  -5.886   1.065   3.193
   96   1HB   TRP  19          2HB       TRP  19  -6.217   1.532   5.688
   97   2HB   TRP  19          1HB       TRP  19  -7.331   2.796   5.178
   98    HD1  TRP  19           HD       TRP  19  -6.884  -1.001   4.444
   99    HE1  TRP  19           1HE      TRP  19  -9.225  -2.069   4.369
  100    HE3  TRP  19           3HE      TRP  19  -9.711   3.190   5.223
  101    HZ2  TRP  19           2HZ      TRP  19 -11.912  -1.240   4.602
  102    HZ3  TRP  19           3HZ      TRP  19 -12.160   2.965   5.279
  103    HH2  TRP  19           HH       TRP  19 -13.236   0.794   4.975
  104    HA   PRO  20           HA       PRO  20  -6.704   0.251   2.087
  105   1HB   PRO  20          2HB       PRO  20  -7.977  -0.485  -0.134
  106   2HB   PRO  20          1HB       PRO  20  -8.875  -0.012   1.313
  107   1HG   PRO  20          2HG       PRO  20  -8.537   1.434  -1.238
  108   2HG   PRO  20          1HG       PRO  20  -9.808   1.595  -0.016
  109   1HD   PRO  20          2HD       PRO  20  -7.409   3.201  -0.369
  110   2HD   PRO  20          1HD       PRO  20  -8.768   3.466   0.745
  111    H    ILE  21           H        ILE  21  -4.813   2.317   0.864
  112    HA   ILE  21           HA       ILE  21  -3.633   0.510  -1.155
  113    HB   ILE  21           HB       ILE  21  -3.709   3.528  -1.363
  114   1HG1  ILE  21          2HG1      ILE  21  -5.059   1.430  -3.080
  115   2HG1  ILE  21          1HG1      ILE  21  -5.874   2.431  -1.883
  116   1HG2  ILE  21          1HG2      ILE  21  -2.874   1.990  -3.700
  117   2HG2  ILE  21          2HG2      ILE  21  -1.776   1.844  -2.327
  118   3HG2  ILE  21          3HG2      ILE  21  -2.166   3.436  -2.979
  119   1HD1  ILE  21          1HD1      ILE  21  -6.132   4.060  -3.355
  120   2HD1  ILE  21          2HD1      ILE  21  -5.477   2.983  -4.589
  121   3HD1  ILE  21          3HD1      ILE  21  -4.406   4.079  -3.715
  122    H    CYS  22           H        CYS  22  -1.494   0.094  -0.896
  123    HA   CYS  22           HA       CYS  22  -0.188   1.194   1.422
  124   1HB   CYS  22          2HB       CYS  22   0.383  -1.008  -0.468
  125   2HB   CYS  22          1HB       CYS  22   1.769  -0.269   0.332
  126    H    THR  23           H        THR  23   1.377   2.622   1.574
  127    HA   THR  23           HA       THR  23   2.469   3.785  -0.916
  128    HB   THR  23           HB       THR  23   2.632   5.948   0.337
  129    HG1  THR  23           1HG      THR  23   0.706   5.353   2.173
  130   1HG2  THR  23          1HG2      THR  23  -0.013   4.665  -0.259
  131   2HG2  THR  23          2HG2      THR  23   0.826   5.955  -1.123
  132   3HG2  THR  23          3HG2      THR  23   0.041   6.292   0.421
  133    H    ARG  24           H        ARG  24   4.644   4.315  -0.911
  134    HA   ARG  24           HA       ARG  24   6.198   3.173   1.294
  135   1HB   ARG  24          2HB       ARG  24   6.598   3.368  -1.562
  136   2HB   ARG  24          1HB       ARG  24   7.934   4.134  -0.713
  137   1HG   ARG  24          2HG       ARG  24   6.969   1.301  -0.384
  138   2HG   ARG  24          1HG       ARG  24   8.476   1.835  -1.131
  139   1HD   ARG  24          2HD       ARG  24   7.702   2.161   1.769
  140   2HD   ARG  24          1HD       ARG  24   8.875   1.013   1.127
  141    HE   ARG  24           HE       ARG  24   9.314   3.774   1.725
  142   1HH1  ARG  24          1HH1      ARG  24  10.341   1.175  -0.403
  143   2HH1  ARG  24          2HH1      ARG  24  11.862   1.916  -0.769
  144   1HH2  ARG  24          1HH2      ARG  24  11.265   4.751   1.251
  145   2HH2  ARG  24          2HH2      ARG  24  12.402   3.967   0.183
  146    H    ASP  25           H        ASP  25   6.287   4.638   2.856
  147    HA   ASP  25           HA       ASP  25   6.736   6.530   4.004
  148   1HB   ASP  25          2HB       ASP  25   8.410   7.367   1.624
  149   2HB   ASP  25          1HB       ASP  25   8.563   7.938   3.282
  150    H    GLY  26           H        GLY  26   4.412   6.407   2.417
  151   1HA   GLY  26          2HA       GLY  26   2.682   7.997   2.269
  152   2HA   GLY  26          1HA       GLY  26   3.889   9.268   2.165
  153    H    LEU  27           H        LEU  27   5.180   7.337   0.037
  154    HA   LEU  27           HA       LEU  27   3.753   8.574  -2.176
  155   1HB   LEU  27          2HB       LEU  27   6.264   8.681  -1.918
  156   2HB   LEU  27          1HB       LEU  27   6.299   6.964  -2.266
  157    HG   LEU  27           HG       LEU  27   5.364   7.383  -4.494
  158   1HD1  LEU  27          1HD1      LEU  27   4.522   9.345  -5.178
  159   2HD1  LEU  27          2HD1      LEU  27   5.799  10.278  -4.398
  160   3HD1  LEU  27          3HD1      LEU  27   4.417   9.716  -3.457
  161   1HD2  LEU  27          1HD2      LEU  27   7.787   9.049  -3.821
  162   2HD2  LEU  27          2HD2      LEU  27   7.318   8.543  -5.444
  163   3HD2  LEU  27          3HD2      LEU  27   7.773   7.336  -4.242
  164    HA   PRO  28           HA       PRO  28   1.635   4.653  -2.742
  165   1HB   PRO  28          2HB       PRO  28   0.048   5.454  -4.784
  166   2HB   PRO  28          1HB       PRO  28  -0.258   5.896  -3.100
  167   1HG   PRO  28          2HG       PRO  28   1.056   7.491  -5.269
  168   2HG   PRO  28          1HG       PRO  28  -0.148   8.008  -4.073
  169   1HD   PRO  28          2HD       PRO  28   2.497   8.518  -3.796
  170   2HD   PRO  28          1HD       PRO  28   1.426   8.246  -2.407
  171    H    VAL  29           H        VAL  29   4.237   4.758  -3.839
  172    HA   VAL  29           HA       VAL  29   3.879   3.926  -6.624
  173    HB   VAL  29           HB       VAL  29   6.384   3.882  -6.707
  174   1HG1  VAL  29          1HG1      VAL  29   6.404   6.032  -7.369
  175   2HG1  VAL  29          2HG1      VAL  29   5.768   6.623  -5.835
  176   3HG1  VAL  29          3HG1      VAL  29   4.673   5.945  -7.040
  177   1HG2  VAL  29          1HG2      VAL  29   7.455   3.833  -4.748
  178   2HG2  VAL  29          2HG2      VAL  29   6.027   4.378  -3.867
  179   3HG2  VAL  29          3HG2      VAL  29   7.097   5.557  -4.625
  Start of MODEL   18
    1   1H    CYS   1           H        CYS   1   3.203   2.405  -4.001
    2    HA   CYS   1           HA       CYS   1   4.908   0.150  -4.480
    3   1HB   CYS   1          2HB       CYS   1   2.401   0.423  -2.808
    4   2HB   CYS   1          1HB       CYS   1   3.476  -0.964  -2.804
    5    H    GLY   2           H        GLY   2   1.818   1.302  -5.528
    6   1HA   GLY   2          2HA       GLY   2   0.320   0.522  -7.081
    7   2HA   GLY   2          1HA       GLY   2   1.635  -0.472  -7.695
    8    H    GLU   3           H        GLU   3   0.348  -0.637  -4.439
    9    HA   GLU   3           HA       GLU   3  -1.038  -3.127  -5.072
   10   1HB   GLU   3          2HB       GLU   3   1.228  -3.767  -4.398
   11   2HB   GLU   3          1HB       GLU   3   1.070  -2.826  -2.922
   12   1HG   GLU   3          2HG       GLU   3  -0.573  -4.312  -2.059
   13   2HG   GLU   3          1HG       GLU   3  -0.695  -5.160  -3.601
   14    H    THR   4           H        THR   4  -2.879  -3.367  -3.970
   15    HA   THR   4           HA       THR   4  -3.623  -1.236  -2.127
   16    HB   THR   4           HB       THR   4  -5.919  -2.069  -2.416
   17    HG1  THR   4           1HG      THR   4  -4.805  -4.276  -3.138
   18   1HG2  THR   4          1HG2      THR   4  -4.265  -1.326  -4.800
   19   2HG2  THR   4          2HG2      THR   4  -5.466  -0.370  -3.930
   20   3HG2  THR   4          3HG2      THR   4  -5.982  -1.678  -4.995
   21    H    CYS   5           H        CYS   5  -4.450  -1.607  -0.090
   22    HA   CYS   5           HA       CYS   5  -4.090  -4.319   0.969
   23   1HB   CYS   5          2HB       CYS   5  -3.411  -3.317   3.107
   24   2HB   CYS   5          1HB       CYS   5  -2.316  -2.878   1.803
   25    H    PHE   6           H        PHE   6  -6.432  -4.048   0.027
   26    HA   PHE   6           HA       PHE   6  -8.398  -2.663   1.430
   27   1HB   PHE   6          2HB       PHE   6  -8.447  -5.182  -0.203
   28   2HB   PHE   6          1HB       PHE   6  -9.895  -4.649   0.643
   29    HD1  PHE   6           1HD      PHE   6 -11.381  -3.807  -0.877
   30    HD2  PHE   6           2HD      PHE   6  -7.267  -2.788  -1.255
   31    HE1  PHE   6           1HE      PHE   6 -11.929  -2.299  -2.742
   32    HE2  PHE   6           2HE      PHE   6  -7.809  -1.278  -3.119
   33    HZ   PHE   6           HZ       PHE   6 -10.141  -1.032  -3.866
   34    H    GLY   7           H        GLY   7  -6.814  -5.712   2.130
   35   1HA   GLY   7          2HA       GLY   7  -8.504  -6.051   4.511
   36   2HA   GLY   7          1HA       GLY   7  -7.465  -7.285   3.809
   37    H    GLY   8           H        GLY   8  -6.127  -4.150   3.974
   38   1HA   GLY   8          2HA       GLY   8  -4.516  -3.196   5.302
   39   2HA   GLY   8          1HA       GLY   8  -5.088  -4.215   6.616
   40    H    THR   9           H        THR   9  -3.762  -5.190   3.479
   41    HA   THR   9           HA       THR   9  -1.297  -6.021   4.726
   42    HB   THR   9           HB       THR   9  -2.789  -7.921   5.189
   43    HG1  THR   9           1HG      THR   9  -1.184  -9.251   4.782
   44   1HG2  THR   9          1HG2      THR   9  -3.526  -7.527   2.408
   45   2HG2  THR   9          2HG2      THR   9  -4.363  -8.415   3.682
   46   3HG2  THR   9          3HG2      THR   9  -3.091  -9.202   2.749
   47    H    CYS  10           H        CYS  10   0.378  -6.333   3.292
   48    HA   CYS  10           HA       CYS  10  -0.129  -6.221   0.434
   49   1HB   CYS  10          2HB       CYS  10   1.292  -4.064   1.977
   50   2HB   CYS  10          1HB       CYS  10   1.716  -4.386   0.300
   51    H    ASN  11           H        ASN  11   1.427  -7.177  -0.768
   52    HA   ASN  11           HA       ASN  11   3.226  -8.943   0.577
   53   1HB   ASN  11          2HB       ASN  11   2.921  -8.286  -2.363
   54   2HB   ASN  11          1HB       ASN  11   3.885  -9.611  -1.719
   55   1HD2  ASN  11          1HD2      ASN  11   0.801  -8.543  -2.657
   56   2HD2  ASN  11          2HD2      ASN  11  -0.071  -9.988  -2.248
   57    H    THR  12           H        THR  12   3.507  -5.909  -1.159
   58    HA   THR  12           HA       THR  12   6.326  -5.891  -1.411
   59    HB   THR  12           HB       THR  12   4.617  -3.421  -1.181
   60    HG1  THR  12           1HG      THR  12   3.533  -4.730  -2.646
   61   1HG2  THR  12          1HG2      THR  12   6.688  -3.680  -3.254
   62   2HG2  THR  12          2HG2      THR  12   7.294  -3.701  -1.598
   63   3HG2  THR  12          3HG2      THR  12   6.335  -2.336  -2.169
   64    HA   PRO  13           HA       PRO  13   7.131  -5.227   2.952
   65   1HB   PRO  13          2HB       PRO  13   9.841  -5.288   2.745
   66   2HB   PRO  13          1HB       PRO  13   8.839  -6.743   2.758
   67   1HG   PRO  13          2HG       PRO  13  10.060  -5.301   0.439
   68   2HG   PRO  13          1HG       PRO  13   9.945  -7.045   0.739
   69   1HD   PRO  13          2HD       PRO  13   8.273  -5.731  -0.944
   70   2HD   PRO  13          1HD       PRO  13   7.775  -7.158  -0.015
   71    H    GLY  14           H        GLY  14   7.315  -3.402   4.074
   72   1HA   GLY  14          2HA       GLY  14   8.354  -1.353   4.652
   73   2HA   GLY  14          1HA       GLY  14   8.931  -1.211   3.000
   74    H    CYS  15           H        CYS  15   6.035  -1.996   2.181
   75    HA   CYS  15           HA       CYS  15   5.185   0.732   1.931
   76   1HB   CYS  15          2HB       CYS  15   3.908  -1.860   1.049
   77   2HB   CYS  15          1HB       CYS  15   3.239  -0.266   0.705
   78    H    SER  16           H        SER  16   4.021   1.814   3.307
   79    HA   SER  16           HA       SER  16   2.750   0.526   5.549
   80   1HB   SER  16          2HB       SER  16   3.950   2.723   5.732
   81   2HB   SER  16          1HB       SER  16   2.696   3.446   4.724
   82    HG   SER  16           HG       SER  16   2.647   3.250   7.294
   83    H    CYS  17           H        CYS  17   0.631   0.037   5.703
   84    HA   CYS  17           HA       CYS  17  -0.953   0.225   3.345
   85   1HB   CYS  17          2HB       CYS  17  -1.187  -1.751   4.679
   86   2HB   CYS  17          1HB       CYS  17  -1.583  -0.805   6.112
   87    H    THR  18           H        THR  18  -1.388   2.322   2.876
   88    HA   THR  18           HA       THR  18  -2.796   3.966   4.828
   89    HB   THR  18           HB       THR  18  -2.168   4.687   1.956
   90    HG1  THR  18           1HG      THR  18  -0.477   4.366   4.093
   91   1HG2  THR  18          1HG2      THR  18  -2.192   6.644   4.195
   92   2HG2  THR  18          2HG2      THR  18  -3.745   6.010   3.650
   93   3HG2  THR  18          3HG2      THR  18  -2.686   6.847   2.515
   94    H    TRP  19           H        TRP  19  -4.311   2.135   4.777
   95    HA   TRP  19           HA       TRP  19  -5.862   0.977   3.099
   96   1HB   TRP  19          2HB       TRP  19  -6.187   1.228   5.629
   97   2HB   TRP  19          1HB       TRP  19  -7.290   2.541   5.229
   98    HD1  TRP  19           HD       TRP  19  -6.866  -1.186   4.200
   99    HE1  TRP  19           1HE      TRP  19  -9.214  -2.229   4.012
  100    HE3  TRP  19           3HE      TRP  19  -9.672   2.956   5.256
  101    HZ2  TRP  19           2HZ      TRP  19 -11.898  -1.395   4.270
  102    HZ3  TRP  19           3HZ      TRP  19 -12.123   2.749   5.262
  103    HH2  TRP  19           HH       TRP  19 -13.212   0.618   4.779
  104    HA   PRO  20           HA       PRO  20  -6.705   0.269   1.937
  105   1HB   PRO  20          2HB       PRO  20  -7.966  -0.247  -0.353
  106   2HB   PRO  20          1HB       PRO  20  -8.873   0.104   1.123
  107   1HG   PRO  20          2HG       PRO  20  -8.487   1.773  -1.282
  108   2HG   PRO  20          1HG       PRO  20  -9.774   1.833  -0.068
  109   1HD   PRO  20          2HD       PRO  20  -7.369   3.450  -0.243
  110   2HD   PRO  20          1HD       PRO  20  -8.731   3.609   0.887
  111    H    ILE  21           H        ILE  21  -4.930   2.556   0.778
  112    HA   ILE  21           HA       ILE  21  -3.725   0.954  -1.404
  113    HB   ILE  21           HB       ILE  21  -3.566   3.956  -1.077
  114   1HG1  ILE  21          2HG1      ILE  21  -5.850   3.229  -1.678
  115   2HG1  ILE  21          1HG1      ILE  21  -5.079   4.125  -2.982
  116   1HG2  ILE  21          1HG2      ILE  21  -2.583   3.944  -3.304
  117   2HG2  ILE  21          2HG2      ILE  21  -2.699   2.185  -3.357
  118   3HG2  ILE  21          3HG2      ILE  21  -1.630   2.962  -2.190
  119   1HD1  ILE  21          1HD1      ILE  21  -6.114   2.377  -4.076
  120   2HD1  ILE  21          2HD1      ILE  21  -5.719   1.214  -2.810
  121   3HD1  ILE  21          3HD1      ILE  21  -4.458   1.796  -3.898
  122    H    CYS  22           H        CYS  22  -1.664   0.272  -1.068
  123    HA   CYS  22           HA       CYS  22  -0.329   1.098   1.348
  124   1HB   CYS  22          2HB       CYS  22   0.231  -0.958  -0.742
  125   2HB   CYS  22          1HB       CYS  22   1.522  -0.457   0.348
  126    H    THR  23           H        THR  23   1.223   2.515   1.598
  127    HA   THR  23           HA       THR  23   2.411   3.726  -0.829
  128    HB   THR  23           HB       THR  23   2.630   5.822   0.462
  129    HG1  THR  23           1HG      THR  23   0.837   5.118   2.430
  130   1HG2  THR  23          1HG2      THR  23  -0.003   4.582  -0.110
  131   2HG2  THR  23          2HG2      THR  23   0.724   6.050  -0.763
  132   3HG2  THR  23          3HG2      THR  23  -0.011   6.068   0.840
  133    H    ARG  24           H        ARG  24   4.596   4.055  -0.856
  134    HA   ARG  24           HA       ARG  24   6.124   2.689   1.216
  135   1HB   ARG  24          2HB       ARG  24   6.562   2.315  -1.254
  136   2HB   ARG  24          1HB       ARG  24   7.153   3.970  -1.326
  137   1HG   ARG  24          2HG       ARG  24   9.018   2.476  -1.138
  138   2HG   ARG  24          1HG       ARG  24   8.863   3.392   0.364
  139   1HD   ARG  24          2HD       ARG  24   7.678   1.471   1.373
  140   2HD   ARG  24          1HD       ARG  24   7.930   0.560  -0.115
  141    HE   ARG  24           HE       ARG  24  10.054   0.120   0.577
  142   1HH1  ARG  24          1HH1      ARG  24   8.837   2.810   2.439
  143   2HH1  ARG  24          2HH1      ARG  24  10.283   3.015   3.366
  144   1HH2  ARG  24          1HH2      ARG  24  11.973   0.347   1.834
  145   2HH2  ARG  24          2HH2      ARG  24  12.060   1.594   3.032
  146    H    ASP  25           H        ASP  25   5.986   4.080   2.908
  147    HA   ASP  25           HA       ASP  25   6.485   5.816   4.257
  148   1HB   ASP  25          2HB       ASP  25   8.583   6.367   2.145
  149   2HB   ASP  25          1HB       ASP  25   8.503   7.187   3.703
  150    H    GLY  26           H        GLY  26   4.332   6.125   2.555
  151   1HA   GLY  26          2HA       GLY  26   2.908   8.041   2.519
  152   2HA   GLY  26          1HA       GLY  26   4.325   9.048   2.289
  153    H    LEU  27           H        LEU  27   5.257   7.054   0.151
  154    HA   LEU  27           HA       LEU  27   3.750   8.335  -1.981
  155   1HB   LEU  27          2HB       LEU  27   6.334   6.795  -1.972
  156   2HB   LEU  27          1HB       LEU  27   5.558   7.356  -3.443
  157    HG   LEU  27           HG       LEU  27   6.418   9.179  -1.209
  158   1HD1  LEU  27          1HD1      LEU  27   8.081   7.782  -2.938
  159   2HD1  LEU  27          2HD1      LEU  27   8.497   9.224  -2.010
  160   3HD1  LEU  27          3HD1      LEU  27   7.924   9.379  -3.670
  161   1HD2  LEU  27          1HD2      LEU  27   5.181   9.555  -3.888
  162   2HD2  LEU  27          2HD2      LEU  27   6.314  10.771  -3.297
  163   3HD2  LEU  27          3HD2      LEU  27   4.862  10.393  -2.369
  164    HA   PRO  28           HA       PRO  28   1.489   4.500  -2.531
  165   1HB   PRO  28          2HB       PRO  28  -0.167   5.416  -4.461
  166   2HB   PRO  28          1HB       PRO  28  -0.376   5.835  -2.756
  167   1HG   PRO  28          2HG       PRO  28   0.878   7.429  -4.959
  168   2HG   PRO  28          1HG       PRO  28  -0.234   7.964  -3.684
  169   1HD   PRO  28          2HD       PRO  28   2.460   8.348  -3.563
  170   2HD   PRO  28          1HD       PRO  28   1.445   8.139  -2.122
  171    H    VAL  29           H        VAL  29   4.068   4.863  -3.783
  172    HA   VAL  29           HA       VAL  29   3.684   4.152  -6.577
  173    HB   VAL  29           HB       VAL  29   6.152   4.162  -6.712
  174   1HG1  VAL  29          1HG1      VAL  29   6.196   6.700  -5.668
  175   2HG1  VAL  29          2HG1      VAL  29   4.479   6.432  -5.970
  176   3HG1  VAL  29          3HG1      VAL  29   5.644   6.263  -7.284
  177   1HG2  VAL  29          1HG2      VAL  29   6.084   5.042  -3.827
  178   2HG2  VAL  29          2HG2      VAL  29   7.511   4.842  -4.844
  179   3HG2  VAL  29          3HG2      VAL  29   6.561   3.434  -4.371
  Start of MODEL   19
    1   1H    CYS   1           H        CYS   1   3.458   2.370  -3.900
    2    HA   CYS   1           HA       CYS   1   5.331   0.223  -4.242
    3   1HB   CYS   1          2HB       CYS   1   2.854   0.571  -2.556
    4   2HB   CYS   1          1HB       CYS   1   3.765  -0.928  -2.599
    5    H    GLY   2           H        GLY   2   2.220   1.119  -5.446
    6   1HA   GLY   2          2HA       GLY   2   0.859   0.159  -7.028
    7   2HA   GLY   2          1HA       GLY   2   2.218  -0.875  -7.445
    8    H    GLU   3           H        GLU   3   0.548  -0.634  -4.344
    9    HA   GLU   3           HA       GLU   3  -0.731  -3.211  -4.753
   10   1HB   GLU   3          2HB       GLU   3   1.369  -3.936  -3.877
   11   2HB   GLU   3          1HB       GLU   3   1.368  -2.678  -2.651
   12   1HG   GLU   3          2HG       GLU   3   0.886  -4.777  -1.619
   13   2HG   GLU   3          1HG       GLU   3  -0.557  -3.771  -1.572
   14    H    THR   4           H        THR   4  -2.527  -3.499  -3.528
   15    HA   THR   4           HA       THR   4  -3.359  -1.183  -1.914
   16    HB   THR   4           HB       THR   4  -5.679  -2.009  -2.285
   17    HG1  THR   4           1HG      THR   4  -4.345  -4.115  -3.327
   18   1HG2  THR   4          1HG2      THR   4  -4.912  -0.216  -3.667
   19   2HG2  THR   4          2HG2      THR   4  -5.771  -1.351  -4.709
   20   3HG2  THR   4          3HG2      THR   4  -4.007  -1.321  -4.702
   21    H    CYS   5           H        CYS   5  -4.317  -1.512   0.093
   22    HA   CYS   5           HA       CYS   5  -4.043  -4.221   1.179
   23   1HB   CYS   5          2HB       CYS   5  -3.443  -3.185   3.358
   24   2HB   CYS   5          1HB       CYS   5  -2.251  -2.914   2.093
   25    H    PHE   6           H        PHE   6  -6.358  -3.848   0.167
   26    HA   PHE   6           HA       PHE   6  -8.315  -2.444   1.569
   27   1HB   PHE   6          2HB       PHE   6  -8.415  -4.942  -0.102
   28   2HB   PHE   6          1HB       PHE   6  -9.861  -4.340   0.700
   29    HD1  PHE   6           1HD      PHE   6  -7.073  -2.780  -1.254
   30    HD2  PHE   6           2HD      PHE   6 -11.268  -3.251  -0.719
   31    HE1  PHE   6           1HE      PHE   6  -7.483  -1.243  -3.131
   32    HE2  PHE   6           2HE      PHE   6 -11.685  -1.715  -2.594
   33    HZ   PHE   6           HZ       PHE   6  -9.791  -0.708  -3.802
   34    H    GLY   7           H        GLY   7  -6.879  -5.591   2.165
   35   1HA   GLY   7          2HA       GLY   7  -8.558  -5.899   4.561
   36   2HA   GLY   7          1HA       GLY   7  -7.646  -7.187   3.783
   37    H    GLY   8           H        GLY   8  -6.116  -4.126   4.133
   38   1HA   GLY   8          2HA       GLY   8  -4.421  -3.369   5.482
   39   2HA   GLY   8          1HA       GLY   8  -4.999  -4.477   6.718
   40    H    THR   9           H        THR   9  -3.814  -5.250   3.474
   41    HA   THR   9           HA       THR   9  -1.333  -6.252   4.553
   42    HB   THR   9           HB       THR   9  -2.866  -8.150   4.903
   43    HG1  THR   9           1HG      THR   9  -1.384  -9.549   4.229
   44   1HG2  THR   9          1HG2      THR   9  -4.461  -7.728   3.105
   45   2HG2  THR   9          2HG2      THR   9  -3.799  -9.357   2.979
   46   3HG2  THR   9          3HG2      THR   9  -3.220  -8.086   1.904
   47    H    CYS  10           H        CYS  10   0.281  -6.403   3.031
   48    HA   CYS  10           HA       CYS  10  -0.411  -5.877   0.233
   49   1HB   CYS  10          2HB       CYS  10   1.522  -4.284   1.927
   50   2HB   CYS  10          1HB       CYS  10   1.543  -4.248   0.167
   51    H    ASN  11           H        ASN  11   0.844  -6.906  -1.237
   52    HA   ASN  11           HA       ASN  11   2.443  -9.068  -0.374
   53   1HB   ASN  11          2HB       ASN  11   2.729  -9.605  -2.643
   54   2HB   ASN  11          1HB       ASN  11   1.170  -8.798  -2.599
   55   1HD2  ASN  11          1HD2      ASN  11   0.856  -7.025  -3.806
   56   2HD2  ASN  11          2HD2      ASN  11   2.080  -6.283  -4.790
   57    H    THR  12           H        THR  12   3.213  -5.815  -1.417
   58    HA   THR  12           HA       THR  12   6.036  -6.259  -1.557
   59    HB   THR  12           HB       THR  12   4.727  -3.568  -1.256
   60    HG1  THR  12           1HG      THR  12   4.522  -5.421  -3.342
   61   1HG2  THR  12          1HG2      THR  12   7.290  -4.029  -1.387
   62   2HG2  THR  12          2HG2      THR  12   6.592  -2.737  -2.365
   63   3HG2  THR  12          3HG2      THR  12   6.972  -4.293  -3.102
   64    HA   PRO  13           HA       PRO  13   6.441  -5.995   2.911
   65   1HB   PRO  13          2HB       PRO  13   9.082  -6.611   2.989
   66   2HB   PRO  13          1HB       PRO  13   7.820  -7.830   2.773
   67   1HG   PRO  13          2HG       PRO  13   9.581  -6.540   0.727
   68   2HG   PRO  13          1HG       PRO  13   9.084  -8.237   0.869
   69   1HD   PRO  13          2HD       PRO  13   7.931  -6.489  -0.867
   70   2HD   PRO  13          1HD       PRO  13   7.060  -7.858  -0.150
   71    H    GLY  14           H        GLY  14   6.906  -4.294   4.175
   72   1HA   GLY  14          2HA       GLY  14   8.302  -2.529   4.931
   73   2HA   GLY  14          1HA       GLY  14   9.002  -2.432   3.324
   74    H    CYS  15           H        CYS  15   6.082  -2.571   2.284
   75    HA   CYS  15           HA       CYS  15   5.794   0.273   2.120
   76   1HB   CYS  15          2HB       CYS  15   4.134  -2.020   1.079
   77   2HB   CYS  15          1HB       CYS  15   3.671  -0.333   0.854
   78    H    SER  16           H        SER  16   4.532   1.598   3.247
   79    HA   SER  16           HA       SER  16   3.179   0.552   5.563
   80   1HB   SER  16          2HB       SER  16   3.420   3.407   4.570
   81   2HB   SER  16          1HB       SER  16   2.915   2.897   6.183
   82    HG   SER  16           HG       SER  16   5.259   3.524   5.760
   83    H    CYS  17           H        CYS  17   1.142  -0.074   5.538
   84    HA   CYS  17           HA       CYS  17  -0.521   0.293   3.286
   85   1HB   CYS  17          2HB       CYS  17  -0.863  -1.694   4.532
   86   2HB   CYS  17          1HB       CYS  17  -1.043  -0.806   6.044
   87    H    THR  18           H        THR  18  -1.437   2.083   2.732
   88    HA   THR  18           HA       THR  18  -2.529   3.870   4.789
   89    HB   THR  18           HB       THR  18  -1.966   4.603   1.907
   90    HG1  THR  18           1HG      THR  18  -0.182   4.072   3.819
   91   1HG2  THR  18          1HG2      THR  18  -2.471   6.751   2.484
   92   2HG2  THR  18          2HG2      THR  18  -1.874   6.562   4.133
   93   3HG2  THR  18          3HG2      THR  18  -3.460   5.931   3.693
   94    H    TRP  19           H        TRP  19  -4.119   2.134   4.807
   95    HA   TRP  19           HA       TRP  19  -5.730   0.985   3.175
   96   1HB   TRP  19          2HB       TRP  19  -6.035   1.325   5.698
   97   2HB   TRP  19          1HB       TRP  19  -7.082   2.672   5.261
   98    HD1  TRP  19           HD       TRP  19  -6.819  -1.095   4.332
   99    HE1  TRP  19           1HE      TRP  19  -9.207  -2.044   4.177
  100    HE3  TRP  19           3HE      TRP  19  -9.446   3.187   5.284
  101    HZ2  TRP  19           2HZ      TRP  19 -11.855  -1.093   4.420
  102    HZ3  TRP  19           3HZ      TRP  19 -11.904   3.081   5.300
  103    HH2  TRP  19           HH       TRP  19 -13.082   0.986   4.876
  104    HA   PRO  20           HA       PRO  20  -6.649   0.279   2.061
  105   1HB   PRO  20          2HB       PRO  20  -7.954  -0.252  -0.200
  106   2HB   PRO  20          1HB       PRO  20  -8.826   0.207   1.267
  107   1HG   PRO  20          2HG       PRO  20  -8.360   1.761  -1.202
  108   2HG   PRO  20          1HG       PRO  20  -9.639   1.934   0.010
  109   1HD   PRO  20          2HD       PRO  20  -7.158   3.417  -0.226
  110   2HD   PRO  20          1HD       PRO  20  -8.500   3.677   0.908
  111    H    ILE  21           H        ILE  21  -4.641   2.308   0.895
  112    HA   ILE  21           HA       ILE  21  -3.513   0.459  -1.113
  113    HB   ILE  21           HB       ILE  21  -3.531   3.472  -1.401
  114   1HG1  ILE  21          2HG1      ILE  21  -4.962   1.369  -3.045
  115   2HG1  ILE  21          1HG1      ILE  21  -5.732   2.428  -1.868
  116   1HG2  ILE  21          1HG2      ILE  21  -2.604   1.479  -3.448
  117   2HG2  ILE  21          2HG2      ILE  21  -1.511   2.162  -2.244
  118   3HG2  ILE  21          3HG2      ILE  21  -2.326   3.220  -3.397
  119   1HD1  ILE  21          1HD1      ILE  21  -5.452   2.896  -4.567
  120   2HD1  ILE  21          2HD1      ILE  21  -4.208   3.909  -3.835
  121   3HD1  ILE  21          3HD1      ILE  21  -5.891   4.082  -3.338
  122    H    CYS  22           H        CYS  22  -1.350   0.052  -0.872
  123    HA   CYS  22           HA       CYS  22  -0.043   1.151   1.434
  124   1HB   CYS  22          2HB       CYS  22   0.575  -0.985  -0.521
  125   2HB   CYS  22          1HB       CYS  22   1.942  -0.231   0.296
  126    H    THR  23           H        THR  23   1.550   2.601   1.579
  127    HA   THR  23           HA       THR  23   2.541   3.789  -0.931
  128    HB   THR  23           HB       THR  23   2.454   6.012   0.038
  129    HG1  THR  23           1HG      THR  23   0.953   5.295   2.265
  130   1HG2  THR  23          1HG2      THR  23   0.424   5.972  -0.930
  131   2HG2  THR  23          2HG2      THR  23  -0.194   5.858   0.719
  132   3HG2  THR  23          3HG2      THR  23   0.023   4.397  -0.246
  133    H    ARG  24           H        ARG  24   4.605   4.893  -0.676
  134    HA   ARG  24           HA       ARG  24   6.302   3.496   1.236
  135   1HB   ARG  24          2HB       ARG  24   6.684   4.297  -1.393
  136   2HB   ARG  24          1HB       ARG  24   7.601   5.482  -0.474
  137   1HG   ARG  24          2HG       ARG  24   7.919   2.513  -0.119
  138   2HG   ARG  24          1HG       ARG  24   8.879   3.462  -1.248
  139   1HD   ARG  24          2HD       ARG  24  10.172   3.219   0.728
  140   2HD   ARG  24          1HD       ARG  24   9.593   4.880   0.697
  141    HE   ARG  24           HE       ARG  24   8.634   4.482   2.718
  142   1HH1  ARG  24          1HH1      ARG  24   8.816   1.384   1.051
  143   2HH1  ARG  24          2HH1      ARG  24   8.129   0.507   2.378
  144   1HH2  ARG  24          1HH2      ARG  24   7.760   3.324   4.440
  145   2HH2  ARG  24          2HH2      ARG  24   7.519   1.599   4.300
  146    H    ASP  25           H        ASP  25   4.722   4.924   2.643
  147    HA   ASP  25           HA       ASP  25   4.559   6.455   4.291
  148   1HB   ASP  25          2HB       ASP  25   7.437   7.164   3.697
  149   2HB   ASP  25          1HB       ASP  25   6.552   7.481   5.188
  150    H    GLY  26           H        GLY  26   3.592   7.175   1.825
  151   1HA   GLY  26          2HA       GLY  26   2.835   9.696   1.950
  152   2HA   GLY  26          1HA       GLY  26   4.472   9.923   1.359
  153    H    LEU  27           H        LEU  27   4.695   7.834  -0.443
  154    HA   LEU  27           HA       LEU  27   2.662   8.580  -2.420
  155   1HB   LEU  27          2HB       LEU  27   5.559   7.865  -2.816
  156   2HB   LEU  27          1HB       LEU  27   4.413   8.049  -4.131
  157    HG   LEU  27           HG       LEU  27   5.127  10.228  -2.181
  158   1HD1  LEU  27          1HD1      LEU  27   6.397  11.208  -4.033
  159   2HD1  LEU  27          2HD1      LEU  27   6.068   9.774  -5.007
  160   3HD1  LEU  27          3HD1      LEU  27   7.051   9.643  -3.548
  161   1HD2  LEU  27          1HD2      LEU  27   4.101  11.252  -4.580
  162   2HD2  LEU  27          2HD2      LEU  27   3.335  11.257  -2.992
  163   3HD2  LEU  27          3HD2      LEU  27   3.030   9.930  -4.112
  164    HA   PRO  28           HA       PRO  28   1.618   4.260  -2.476
  165   1HB   PRO  28          2HB       PRO  28  -0.224   4.374  -4.436
  166   2HB   PRO  28          1HB       PRO  28  -0.530   5.031  -2.824
  167   1HG   PRO  28          2HG       PRO  28   0.262   6.461  -5.332
  168   2HG   PRO  28          1HG       PRO  28  -0.945   6.919  -4.117
  169   1HD   PRO  28          2HD       PRO  28   1.575   7.973  -4.208
  170   2HD   PRO  28          1HD       PRO  28   0.631   7.820  -2.713
  171    H    VAL  29           H        VAL  29   4.022   5.042  -3.857
  172    HA   VAL  29           HA       VAL  29   3.916   4.048  -6.547
  173    HB   VAL  29           HB       VAL  29   6.390   4.244  -6.492
  174   1HG1  VAL  29          1HG1      VAL  29   4.695   6.169  -6.888
  175   2HG1  VAL  29          2HG1      VAL  29   6.402   6.552  -6.664
  176   3HG1  VAL  29          3HG1      VAL  29   5.269   6.762  -5.330
  177   1HG2  VAL  29          1HG2      VAL  29   7.287   5.493  -4.428
  178   2HG2  VAL  29          2HG2      VAL  29   7.033   3.753  -4.302
  179   3HG2  VAL  29          3HG2      VAL  29   5.857   4.868  -3.606
  Start of MODEL   20
    1   1H    CYS   1           H        CYS   1   3.425   2.246  -3.841
    2    HA   CYS   1           HA       CYS   1   5.039  -0.091  -4.227
    3   1HB   CYS   1          2HB       CYS   1   2.464   0.228  -2.668
    4   2HB   CYS   1          1HB       CYS   1   3.612  -1.091  -2.532
    5    H    GLY   2           H        GLY   2   2.084   1.203  -5.458
    6   1HA   GLY   2          2HA       GLY   2   0.617   0.468  -7.061
    7   2HA   GLY   2          1HA       GLY   2   1.887  -0.638  -7.565
    8    H    GLU   3           H        GLU   3   0.286  -0.512  -4.437
    9    HA   GLU   3           HA       GLU   3  -1.215  -2.934  -5.025
   10   1HB   GLU   3          2HB       GLU   3   1.078  -3.593  -4.202
   11   2HB   GLU   3          1HB       GLU   3   0.688  -2.801  -2.683
   12   1HG   GLU   3          2HG       GLU   3  -1.259  -4.326  -2.463
   13   2HG   GLU   3          1HG       GLU   3  -0.689  -5.179  -3.896
   14    H    THR   4           H        THR   4  -2.882  -3.352  -3.504
   15    HA   THR   4           HA       THR   4  -3.457  -1.114  -1.685
   16    HB   THR   4           HB       THR   4  -5.892  -1.632  -2.111
   17    HG1  THR   4           1HG      THR   4  -4.947  -2.846  -4.502
   18   1HG2  THR   4          1HG2      THR   4  -4.034  -0.392  -4.088
   19   2HG2  THR   4          2HG2      THR   4  -5.285   0.355  -3.093
   20   3HG2  THR   4          3HG2      THR   4  -5.733  -0.570  -4.526
   21    H    CYS   5           H        CYS   5  -4.409  -1.634   0.288
   22    HA   CYS   5           HA       CYS   5  -4.246  -4.476   0.982
   23   1HB   CYS   5          2HB       CYS   5  -3.785  -3.843   3.252
   24   2HB   CYS   5          1HB       CYS   5  -2.685  -2.970   2.193
   25    H    PHE   6           H        PHE   6  -6.470  -4.247  -0.177
   26    HA   PHE   6           HA       PHE   6  -8.661  -3.130   1.143
   27   1HB   PHE   6          2HB       PHE   6  -8.365  -5.418  -0.773
   28   2HB   PHE   6          1HB       PHE   6  -9.922  -5.118  -0.009
   29    HD1  PHE   6           1HD      PHE   6 -11.237  -4.392  -1.782
   30    HD2  PHE   6           2HD      PHE   6  -7.424  -2.614  -1.147
   31    HE1  PHE   6           1HE      PHE   6 -11.755  -2.683  -3.474
   32    HE2  PHE   6           2HE      PHE   6  -7.935  -0.902  -2.839
   33    HZ   PHE   6           HZ       PHE   6 -10.103  -0.935  -4.004
   34    H    GLY   7           H        GLY   7  -6.857  -6.048   1.768
   35   1HA   GLY   7          2HA       GLY   7  -8.766  -6.786   3.885
   36   2HA   GLY   7          1HA       GLY   7  -7.566  -7.863   3.182
   37    H    GLY   8           H        GLY   8  -6.504  -4.668   3.792
   38   1HA   GLY   8          2HA       GLY   8  -5.128  -3.749   5.382
   39   2HA   GLY   8          1HA       GLY   8  -5.736  -4.948   6.513
   40    H    THR   9           H        THR   9  -4.023  -5.527   3.468
   41    HA   THR   9           HA       THR   9  -1.609  -6.252   4.891
   42    HB   THR   9           HB       THR   9  -3.050  -8.307   3.203
   43    HG1  THR   9           1HG      THR   9  -3.320  -7.664   5.816
   44   1HG2  THR   9          1HG2      THR   9  -1.316  -9.844   4.077
   45   2HG2  THR   9          2HG2      THR   9  -0.515  -8.470   4.837
   46   3HG2  THR   9          3HG2      THR   9  -0.641  -8.555   3.080
   47    H    CYS  10           H        CYS  10   0.203  -6.005   3.658
   48    HA   CYS  10           HA       CYS  10  -0.154  -5.567   0.770
   49   1HB   CYS  10          2HB       CYS  10   1.806  -4.073   2.537
   50   2HB   CYS  10          1HB       CYS  10   1.558  -3.837   0.813
   51    H    ASN  11           H        ASN  11   1.134  -6.756  -0.476
   52    HA   ASN  11           HA       ASN  11   2.922  -8.664   0.727
   53   1HB   ASN  11          2HB       ASN  11   2.226  -8.037  -2.149
   54   2HB   ASN  11          1HB       ASN  11   3.326  -9.327  -1.674
   55   1HD2  ASN  11          1HD2      ASN  11   0.070  -8.317  -1.972
   56   2HD2  ASN  11          2HD2      ASN  11  -0.662  -9.808  -1.474
   57    H    THR  12           H        THR  12   3.172  -5.663  -1.053
   58    HA   THR  12           HA       THR  12   5.924  -5.774  -1.659
   59    HB   THR  12           HB       THR  12   4.384  -3.234  -1.119
   60    HG1  THR  12           1HG      THR  12   3.102  -4.480  -2.516
   61   1HG2  THR  12          1HG2      THR  12   6.020  -2.171  -2.266
   62   2HG2  THR  12          2HG2      THR  12   6.217  -3.498  -3.412
   63   3HG2  THR  12          3HG2      THR  12   6.982  -3.582  -1.826
   64    HA   PRO  13           HA       PRO  13   7.428  -5.411   2.531
   65   1HB   PRO  13          2HB       PRO  13  10.073  -5.338   1.879
   66   2HB   PRO  13          1HB       PRO  13   9.119  -6.825   1.938
   67   1HG   PRO  13          2HG       PRO  13   9.887  -5.158  -0.425
   68   2HG   PRO  13          1HG       PRO  13   9.875  -6.924  -0.255
   69   1HD   PRO  13          2HD       PRO  13   7.905  -5.581  -1.525
   70   2HD   PRO  13          1HD       PRO  13   7.599  -7.068  -0.604
   71    H    GLY  14           H        GLY  14   7.795  -3.754   3.817
   72   1HA   GLY  14          2HA       GLY  14   8.556  -1.719   4.583
   73   2HA   GLY  14          1HA       GLY  14   9.383  -1.492   3.052
   74    H    CYS  15           H        CYS  15   6.035  -2.213   2.811
   75    HA   CYS  15           HA       CYS  15   5.554   0.605   2.173
   76   1HB   CYS  15          2HB       CYS  15   4.275  -1.931   1.178
   77   2HB   CYS  15          1HB       CYS  15   3.498  -0.365   0.974
   78    H    SER  16           H        SER  16   4.378   1.761   3.509
   79    HA   SER  16           HA       SER  16   2.798   0.441   5.578
   80   1HB   SER  16          2HB       SER  16   3.282   3.409   5.177
   81   2HB   SER  16          1HB       SER  16   2.718   2.605   6.644
   82    HG   SER  16           HG       SER  16   4.958   1.434   6.100
   83    H    CYS  17           H        CYS  17   0.696   0.043   5.118
   84    HA   CYS  17           HA       CYS  17  -0.423   1.285   2.798
   85   1HB   CYS  17          2HB       CYS  17  -0.828  -1.108   3.398
   86   2HB   CYS  17          1HB       CYS  17  -1.866  -0.539   4.705
   87    H    THR  18           H        THR  18  -1.419   3.070   2.706
   88    HA   THR  18           HA       THR  18  -2.720   4.207   5.060
   89    HB   THR  18           HB       THR  18  -2.352   5.448   2.308
   90    HG1  THR  18           1HG      THR  18  -0.310   5.530   2.950
   91   1HG2  THR  18          1HG2      THR  18  -3.251   6.502   4.979
   92   2HG2  THR  18          2HG2      THR  18  -4.059   6.625   3.416
   93   3HG2  THR  18          3HG2      THR  18  -2.605   7.571   3.734
   94    H    TRP  19           H        TRP  19  -4.115   2.368   4.915
   95    HA   TRP  19           HA       TRP  19  -5.610   1.167   3.239
   96   1HB   TRP  19          2HB       TRP  19  -5.936   1.212   5.754
   97   2HB   TRP  19          1HB       TRP  19  -7.098   2.508   5.484
   98    HD1  TRP  19           HD       TRP  19  -6.555  -1.146   4.244
   99    HE1  TRP  19           1HE      TRP  19  -8.869  -2.231   3.952
  100    HE3  TRP  19           3HE      TRP  19  -9.497   2.867   5.443
  101    HZ2  TRP  19           2HZ      TRP  19 -11.579  -1.489   4.196
  102    HZ3  TRP  19           3HZ      TRP  19 -11.942   2.593   5.386
  103    HH2  TRP  19           HH       TRP  19 -12.960   0.459   4.775
  104    HA   PRO  20           HA       PRO  20  -6.565   0.372   2.201
  105   1HB   PRO  20          2HB       PRO  20  -7.879  -0.232  -0.038
  106   2HB   PRO  20          1HB       PRO  20  -8.743   0.097   1.468
  107   1HG   PRO  20          2HG       PRO  20  -8.518   1.753  -0.967
  108   2HG   PRO  20          1HG       PRO  20  -9.768   1.762   0.286
  109   1HD   PRO  20          2HD       PRO  20  -7.467   3.504   0.016
  110   2HD   PRO  20          1HD       PRO  20  -8.783   3.587   1.206
  111    H    ILE  21           H        ILE  21  -4.743   2.557   1.079
  112    HA   ILE  21           HA       ILE  21  -3.687   0.965  -1.178
  113    HB   ILE  21           HB       ILE  21  -3.549   3.970  -0.898
  114   1HG1  ILE  21          2HG1      ILE  21  -5.091   2.257  -2.863
  115   2HG1  ILE  21          1HG1      ILE  21  -5.798   3.118  -1.500
  116   1HG2  ILE  21          1HG2      ILE  21  -1.566   3.016  -1.976
  117   2HG2  ILE  21          2HG2      ILE  21  -2.540   3.944  -3.116
  118   3HG2  ILE  21          3HG2      ILE  21  -2.600   2.182  -3.136
  119   1HD1  ILE  21          1HD1      ILE  21  -4.231   4.658  -3.500
  120   2HD1  ILE  21          2HD1      ILE  21  -5.606   5.154  -2.513
  121   3HD1  ILE  21          3HD1      ILE  21  -5.857   4.115  -3.917
  122    H    CYS  22           H        CYS  22  -1.689   0.202  -0.925
  123    HA   CYS  22           HA       CYS  22  -0.147   0.806   1.411
  124   1HB   CYS  22          2HB       CYS  22   0.807  -0.690  -1.038
  125   2HB   CYS  22          1HB       CYS  22   1.385  -0.850   0.616
  126    H    THR  23           H        THR  23   1.405   2.301   1.668
  127    HA   THR  23           HA       THR  23   2.481   3.613  -0.745
  128    HB   THR  23           HB       THR  23   2.538   5.733   0.669
  129    HG1  THR  23           1HG      THR  23   1.633   4.070   2.524
  130   1HG2  THR  23          1HG2      THR  23   0.498   6.418  -0.150
  131   2HG2  THR  23          2HG2      THR  23  -0.309   4.913   0.287
  132   3HG2  THR  23          3HG2      THR  23   0.758   4.967  -1.118
  133    H    ARG  24           H        ARG  24   4.602   4.059  -0.761
  134    HA   ARG  24           HA       ARG  24   6.217   3.069   1.474
  135   1HB   ARG  24          2HB       ARG  24   6.480   2.812  -1.284
  136   2HB   ARG  24          1HB       ARG  24   7.634   4.077  -0.886
  137   1HG   ARG  24          2HG       ARG  24   7.546   1.338   0.366
  138   2HG   ARG  24          1HG       ARG  24   8.653   1.851  -0.908
  139   1HD   ARG  24          2HD       ARG  24   9.552   3.575   0.604
  140   2HD   ARG  24          1HD       ARG  24   8.480   2.994   1.877
  141    HE   ARG  24           HE       ARG  24  10.013   0.848   0.923
  142   1HH1  ARG  24          1HH1      ARG  24  10.352   3.800   2.785
  143   2HH1  ARG  24          2HH1      ARG  24  11.729   3.218   3.676
  144   1HH2  ARG  24          1HH2      ARG  24  11.828   0.083   2.098
  145   2HH2  ARG  24          2HH2      ARG  24  12.568   1.104   3.284
  146    H    ASP  25           H        ASP  25   6.398   4.627   2.963
  147    HA   ASP  25           HA       ASP  25   6.821   6.606   3.976
  148   1HB   ASP  25          2HB       ASP  25   8.411   7.126   1.451
  149   2HB   ASP  25          1HB       ASP  25   8.463   8.146   2.884
  150    H    GLY  26           H        GLY  26   4.421   6.323   2.574
  151   1HA   GLY  26          2HA       GLY  26   2.618   7.805   2.388
  152   2HA   GLY  26          1HA       GLY  26   3.754   9.131   2.219
  153    H    LEU  27           H        LEU  27   5.029   7.127   0.093
  154    HA   LEU  27           HA       LEU  27   3.506   8.300  -2.091
  155   1HB   LEU  27          2HB       LEU  27   6.171   6.906  -2.018
  156   2HB   LEU  27          1HB       LEU  27   5.403   7.448  -3.498
  157    HG   LEU  27           HG       LEU  27   6.118   9.279  -1.223
  158   1HD1  LEU  27          1HD1      LEU  27   8.122   9.804  -2.247
  159   2HD1  LEU  27          2HD1      LEU  27   7.611   9.159  -3.807
  160   3HD1  LEU  27          3HD1      LEU  27   8.031   8.061  -2.494
  161   1HD2  LEU  27          1HD2      LEU  27   5.990  10.612  -3.690
  162   2HD2  LEU  27          2HD2      LEU  27   4.885  10.757  -2.324
  163   3HD2  LEU  27          3HD2      LEU  27   4.559   9.586  -3.601
  164    HA   PRO  28           HA       PRO  28   1.498   4.356  -2.727
  165   1HB   PRO  28          2HB       PRO  28   0.309   5.552  -5.099
  166   2HB   PRO  28          1HB       PRO  28  -0.469   5.081  -3.588
  167   1HG   PRO  28          2HG       PRO  28  -0.168   7.671  -4.356
  168   2HG   PRO  28          1HG       PRO  28  -0.222   7.162  -2.659
  169   1HD   PRO  28          2HD       PRO  28   2.147   7.852  -4.356
  170   2HD   PRO  28          1HD       PRO  28   1.820   8.258  -2.657
  171    H    VAL  29           H        VAL  29   4.173   4.707  -3.697
  172    HA   VAL  29           HA       VAL  29   4.166   3.920  -6.487
  173    HB   VAL  29           HB       VAL  29   6.628   3.841  -6.263
  174   1HG1  VAL  29          1HG1      VAL  29   5.127   6.288  -5.401
  175   2HG1  VAL  29          2HG1      VAL  29   5.833   5.914  -6.973
  176   3HG1  VAL  29          3HG1      VAL  29   6.878   6.315  -5.609
  177   1HG2  VAL  29          1HG2      VAL  29   6.018   3.680  -3.492
  178   2HG2  VAL  29          2HG2      VAL  29   6.954   5.150  -3.765
  179   3HG2  VAL  29          3HG2      VAL  29   7.594   3.588  -4.279